1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol

C14H19ClO — CID 64755424

IUPAC1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol
SMILESCC1CCC(C)C(O)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClO/c1-10-3-4-11(2)14(16,9-10)12-5-7-13(15)8-6-12/h5-8,10-11,16H,3-4,9H2,1-2H3
InChIKeyINKSQXATTWYHCV-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.98
Rot. Bonds1

About 1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol

1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol (PubChem CID 64755424) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol
PubChem CID64755424
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol
SMILESCC1CCC(C)C(O)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClO/c1-10-3-4-11(2)14(16,9-10)12-5-7-13(15)8-6-12/h5-8,10-11,16H,3-4,9H2,1-2H3
InChIKeyINKSQXATTWYHCV-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol (CID 64755424) is 1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol is CC1CCC(C)C(O)(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol?
The InChIKey is INKSQXATTWYHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-10-3-4-11(2)14(16,9-10)12-5-7-13(15)8-6-12/h5-8,10-11,16H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol?
1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol has a molecular weight of 238.76 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64755424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).