(1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol

C22H34O — CID 10567298

IUPAC(1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol
SMILESO[C@@]1(c2ccccc2)CCCCCCCCCCCC[C@H]2C[C@@H]21
InChIInChI=1S/C22H34O/c23-22(20-15-11-9-12-16-20)17-13-8-6-4-2-1-3-5-7-10-14-19-18-21(19)22/h9,11-12,15-16,19,21,23H,1-8,10,13-14,17-18H2/t19-,21-,22+/m0/s1
InChIKeyGUGZAESQWYJXCD-ILWGZMRPSA-N
MW314.51 g/mol
LogP6.21
Rot. Bonds1

About (1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol

(1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol (PubChem CID 10567298) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is (1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol.

Molecular Properties

Compound Name(1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol
PubChem CID10567298
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name(1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol
SMILESO[C@@]1(c2ccccc2)CCCCCCCCCCCC[C@H]2C[C@@H]21
InChIInChI=1S/C22H34O/c23-22(20-15-11-9-12-16-20)17-13-8-6-4-2-1-3-5-7-10-14-19-18-21(19)22/h9,11-12,15-16,19,21,23H,1-8,10,13-14,17-18H2/t19-,21-,22+/m0/s1
InChIKeyGUGZAESQWYJXCD-ILWGZMRPSA-N
XLogP6.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol
CID 10564133
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,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol?
The IUPAC name of (1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol (CID 10567298) is (1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol.
What is the SMILES notation for (1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol?
The canonical SMILES for (1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol is O[C@@]1(c2ccccc2)CCCCCCCCCCCC[C@H]2C[C@@H]21.
What is the InChIKey of (1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol?
The InChIKey is GUGZAESQWYJXCD-ILWGZMRPSA-N. The full InChI is InChI=1S/C22H34O/c23-22(20-15-11-9-12-16-20)17-13-8-6-4-2-1-3-5-7-10-14-19-18-21(19)22/h9,11-12,15-16,19,21,23H,1-8,10,13-14,17-18H2/t19-,21-,22+/m0/s1.
What are the key properties of (1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol?
(1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol has a molecular weight of 314.51 g/mol, XLogP of 6.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol is sourced from PubChem (CID 10567298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).