4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol

C18H21NO — CID 79421992

IUPAC4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol
SMILESOC1CCC(c2ccccc2)CC1Cc1ccccn1
InChIInChI=1S/C18H21NO/c20-18-10-9-15(14-6-2-1-3-7-14)12-16(18)13-17-8-4-5-11-19-17/h1-8,11,15-16,18,20H,9-10,12-13H2
InChIKeySBJBFFWELNWRMV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.57
Rot. Bonds3

About 4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol

4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol (PubChem CID 79421992) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol
PubChem CID79421992
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol
SMILESOC1CCC(c2ccccc2)CC1Cc1ccccn1
InChIInChI=1S/C18H21NO/c20-18-10-9-15(14-6-2-1-3-7-14)12-16(18)13-17-8-4-5-11-19-17/h1-8,11,15-16,18,20H,9-10,12-13H2
InChIKeySBJBFFWELNWRMV-UHFFFAOYSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol
CID 63459055
2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol
CID 79422596
2-(6-hydroxyhexyl)-4-phenylcyclohexan-1-ol
CID 107706337
3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
CID 43632173
1-ethyl-3-(pyridin-2-ylmethyl)piperidin-4-ol
CID 110540631
2-octyl-4-phenylcyclohexan-1-ol
CID 63461451
cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 96630031
(2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride
CID 89235530
2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine
CID 18541294
[(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol
CID 50989531
4-methyl-2-(2-pyridin-2-ylethyl)cyclohexan-1-ol
CID 79423318
1-(4-cyclopropylphenyl)-2-pyridin-2-ylethanol
CID 79980417

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol (CID 79421992) is 4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol is OC1CCC(c2ccccc2)CC1Cc1ccccn1.
What is the InChIKey of 4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol?
The InChIKey is SBJBFFWELNWRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c20-18-10-9-15(14-6-2-1-3-7-14)12-16(18)13-17-8-4-5-11-19-17/h1-8,11,15-16,18,20H,9-10,12-13H2.
What are the key properties of 4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol?
4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 79421992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).