Molecule

ID:286329

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₂
Molecular Mass
192.25424
Exact Mass
192.11502975
Charge
0
InChI
InChI=1S/C12H16O2/c1-12(2,3)11(13)9-6-5-7-10(8-9)14-4/h5-8H,1-4H3
InChIKey
IPTMKVLYPISCRA-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(=O)C(C)(C)C
Isomeric Smiles
C(=O)(c1cc(OC)ccc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1727586
LogD (pH = 7.4)
3.1727586
Log P
3.1727586
Molar Refractivity
56.6264
Polarizability
22.1062
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Academic Data
PubChem
24724064
Commercial Catalog
Enamine
EN300-99151
Names and Identifiers
IUPAC name
1-(3-methoxyphenyl)-2,2-dimethylpropan-1-one
IUPAC Traditional name
1-(3-methoxyphenyl)-2,2-dimethylpropan-1-one
Synonyms
1-(3-methoxyphenyl)-2,2-dimethylpropan-1-one
Registration numbers
MDL Number
MFCD03841165
PubChem SID
180671860
PubChem CID
24724064
Properties
Physical Property
Hydrophobicity(logP)
3.038
Product Information
Purity
95%
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
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