(1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol

C19H28O — CID 10564133

IUPAC(1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol
SMILESO[C@@]1(c2ccccc2)CCCCCCCCC[C@H]2C[C@@H]21
InChIInChI=1S/C19H28O/c20-19(17-12-8-6-9-13-17)14-10-5-3-1-2-4-7-11-16-15-18(16)19/h6,8-9,12-13,16,18,20H,1-5,7,10-11,14-15H2/t16-,18-,19+/m0/s1
InChIKeyJTTJTNQOMFPDSV-YTQUADARSA-N
MW272.43 g/mol
LogP5.03
Rot. Bonds1

About (1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol

(1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol (PubChem CID 10564133) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is (1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol.

Molecular Properties

Compound Name(1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol
PubChem CID10564133
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name(1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol
SMILESO[C@@]1(c2ccccc2)CCCCCCCCC[C@H]2C[C@@H]21
InChIInChI=1S/C19H28O/c20-19(17-12-8-6-9-13-17)14-10-5-3-1-2-4-7-11-16-15-18(16)19/h6,8-9,12-13,16,18,20H,1-5,7,10-11,14-15H2/t16-,18-,19+/m0/s1
InChIKeyJTTJTNQOMFPDSV-YTQUADARSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol
CID 10567298
1-phenyl-2-piperidin-1-ylcyclohexan-1-ol
CID 68530299
(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
CID 135044945
cis-(1R,2S)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid
CID 14915548
2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol
CID 60794928
2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol
CID 112740410
cis-(1R,2S)-2-amino-1-phenylcyclopentan-1-ol
CID 92978161
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
[(1S,2S)-2-hydroxy-2-phenylcycloheptyl] acetate
CID 164678101
2-cyclohexyl-1-(2-methylphenyl)cyclohexan-1-ol
CID 60794929
(4S,4aS,8aR)-1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 6543208
1-phenyl-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 20569063

Frequently Asked Questions

What is the IUPAC name of (1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol?
The IUPAC name of (1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol (CID 10564133) is (1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol.
What is the SMILES notation for (1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol?
The canonical SMILES for (1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol is O[C@@]1(c2ccccc2)CCCCCCCCC[C@H]2C[C@@H]21.
What is the InChIKey of (1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol?
The InChIKey is JTTJTNQOMFPDSV-YTQUADARSA-N. The full InChI is InChI=1S/C19H28O/c20-19(17-12-8-6-9-13-17)14-10-5-3-1-2-4-7-11-16-15-18(16)19/h6,8-9,12-13,16,18,20H,1-5,7,10-11,14-15H2/t16-,18-,19+/m0/s1.
What are the key properties of (1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol?
(1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol has a molecular weight of 272.43 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol is sourced from PubChem (CID 10564133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).