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Molecule
ID:65151
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂₀H₁₈
Molecular Mass
258.35692
Exact Mass
258.14085058
Charge
0
InChI
InChI=1S/C20H18/c1-15-5-3-7-19(13-15)17-9-11-18(12-10-17)20-8-4-6-16(2)14-20/h3-14H,1-2H3
InChIKey
ISCJSNCUQHCZAY-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1ccc(cc1)c1cccc(c1)C
Isomeric Smiles
c1cc(ccc1c1cc(ccc1)C)c1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.2945395
LogD (pH = 7.4)
6.2945395
Log P
6.2945395
Molar Refractivity
86.4128
Polarizability
36.191315
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
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Academic Data
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Names and Identifiers
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IUPAC name
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IUPAC Traditional name
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Synonyms
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PubChem CID
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PubChem SID
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MDL Number
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CAS Number
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Safety Information
Related Proteins
Molecular Spectra
Molecule Details
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Academic Data
PubChem
13466721
Commercial Catalog
Matrix Scientific
070484
Names and Identifiers
IUPAC name
1,4-bis(3-methylphenyl)benzene
IUPAC Traditional name
1,4-bis(3-methylphenyl)benzene
Synonyms
3',3''-Dimethyl-p-terphenyl
Registration numbers
PubChem CID
13466721
PubChem SID
162030890
MDL Number
MFCD17019253
CAS Number
97295-31-3
Properties
Safety Information
Storage Warning
IRRITANT
Source
TSCA Listed
false
Source
MSDS Link
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Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay