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

C19H21ClO — CID 60798196

IUPAC1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol
SMILESOC1(Cc2ccccc2Cl)CCCCC1c1ccccc1
InChIInChI=1S/C19H21ClO/c20-18-12-5-4-10-16(18)14-19(21)13-7-6-11-17(19)15-8-2-1-3-9-15/h1-5,8-10,12,17,21H,6-7,11,13-14H2
InChIKeyGTJTTZHVTGXNSH-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.97
Rot. Bonds3

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

1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol (PubChem CID 60798196) has the molecular formula C19H21ClO and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol
PubChem CID60798196
Molecular FormulaC19H21ClO
Molecular Weight300.83 g/mol
Exact Mass300.13
IUPAC Name1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol
SMILESOC1(Cc2ccccc2Cl)CCCCC1c1ccccc1
InChIInChI=1S/C19H21ClO/c20-18-12-5-4-10-16(18)14-19(21)13-7-6-11-17(19)15-8-2-1-3-9-15/h1-5,8-10,12,17,21H,6-7,11,13-14H2
InChIKeyGTJTTZHVTGXNSH-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol
CID 60799193
2-phenyl-1-prop-2-ynylcyclohexan-1-ol
CID 63222408
2-[(1S,2S)-1-hydroxy-2-phenylcyclohexyl]acetic acid
CID 40501081
1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797945
2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol
CID 104735628
1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol
CID 60797806
1-(ethoxymethyl)-2-phenylcyclohexan-1-ol
CID 79566677
1-(2-methylbutyl)-2-phenylcyclohexan-1-ol
CID 65147898
1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol
CID 82870077
1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol
CID 104801472
1-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-ol
CID 79734846
N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723797

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol (CID 60798196) is 1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol is OC1(Cc2ccccc2Cl)CCCCC1c1ccccc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol?
The InChIKey is GTJTTZHVTGXNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO/c20-18-12-5-4-10-16(18)14-19(21)13-7-6-11-17(19)15-8-2-1-3-9-15/h1-5,8-10,12,17,21H,6-7,11,13-14H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol?
1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol has a molecular weight of 300.83 g/mol, XLogP of 4.97, 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-phenylcyclohexan-1-ol is sourced from PubChem (CID 60798196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).