2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol

C19H21ClO — CID 63459055

IUPAC2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol
SMILESOC1CCC(c2ccccc2)CC1Cc1ccccc1Cl
InChIInChI=1S/C19H21ClO/c20-18-9-5-4-8-16(18)13-17-12-15(10-11-19(17)21)14-6-2-1-3-7-14/h1-9,15,17,19,21H,10-13H2
InChIKeyYITCXRATKWYVCE-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.83
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol

2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol (PubChem CID 63459055) has the molecular formula C19H21ClO and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol
PubChem CID63459055
Molecular FormulaC19H21ClO
Molecular Weight300.83 g/mol
Exact Mass300.13
IUPAC Name2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol
SMILESOC1CCC(c2ccccc2)CC1Cc1ccccc1Cl
InChIInChI=1S/C19H21ClO/c20-18-9-5-4-8-16(18)13-17-12-15(10-11-19(17)21)14-6-2-1-3-7-14/h1-9,15,17,19,21H,10-13H2
InChIKeyYITCXRATKWYVCE-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol (CID 63459055) is 2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol is OC1CCC(c2ccccc2)CC1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol?
The InChIKey is YITCXRATKWYVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO/c20-18-9-5-4-8-16(18)13-17-12-15(10-11-19(17)21)14-6-2-1-3-7-14/h1-9,15,17,19,21H,10-13H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol?
2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol has a molecular weight of 300.83 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol is sourced from PubChem (CID 63459055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).