1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol

C19H27ClO — CID 60799193

IUPAC1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol
SMILESOC1(Cc2ccccc2Cl)CCCCC1C1CCCCC1
InChIInChI=1S/C19H27ClO/c20-18-12-5-4-10-16(18)14-19(21)13-7-6-11-17(19)15-8-2-1-3-9-15/h4-5,10,12,15,17,21H,1-3,6-9,11,13-14H2
InChIKeyFWNFUJPXPGWPTG-UHFFFAOYSA-N
MW306.88 g/mol
LogP5.38
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol

1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol (PubChem CID 60799193) has the molecular formula C19H27ClO and a molecular weight of 306.88 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol
PubChem CID60799193
Molecular FormulaC19H27ClO
Molecular Weight306.88 g/mol
Exact Mass306.18
IUPAC Name1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol
SMILESOC1(Cc2ccccc2Cl)CCCCC1C1CCCCC1
InChIInChI=1S/C19H27ClO/c20-18-12-5-4-10-16(18)14-19(21)13-7-6-11-17(19)15-8-2-1-3-9-15/h4-5,10,12,15,17,21H,1-3,6-9,11,13-14H2
InChIKeyFWNFUJPXPGWPTG-UHFFFAOYSA-N
XLogP5.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.88
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol (CID 60799193) is 1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol is OC1(Cc2ccccc2Cl)CCCCC1C1CCCCC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol?
The InChIKey is FWNFUJPXPGWPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClO/c20-18-12-5-4-10-16(18)14-19(21)13-7-6-11-17(19)15-8-2-1-3-9-15/h4-5,10,12,15,17,21H,1-3,6-9,11,13-14H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol?
1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol has a molecular weight of 306.88 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol is sourced from PubChem (CID 60799193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).