Molecule

ID:119211

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂O₂
Molecular Mass
258.35538
Exact Mass
258.16197994
Charge
0
InChI
InChI=1S/C17H22O2/c1-11-8-9-12-10-14(11)16(19-17(12,2)3)13-6-4-5-7-15(13)18/h4-8,12,14,16,18H,9-10H2,1-3H3/t12-,14-,16?/m1/s1
InChIKey
LIKHVQFAUNUPDS-OJDRRSAWSA-N
Canonic Smiles
CC1=CC[C@H]2C[C@@H]1C(OC2(C)C)c1ccccc1O
Isomeric Smiles
C1(OC([C@@H]2C[C@H]1C(=CC2)C)(C)C)c1c(O)cccc1
Calculated Properties
JChem
Acid pKa
9.081945
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.744857
LogD (pH = 7.4)
3.7360857
Log P
3.74497
Molar Refractivity
77.6158
Polarizability
30.188423
Polar Surface Area
29.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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