1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol

C15H20ClFO — CID 103047644

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(Cc2cc(Cl)ccc2F)C(C)C1
InChIInChI=1S/C15H20ClFO/c1-10-5-6-15(18,11(2)7-10)9-12-8-13(16)3-4-14(12)17/h3-4,8,10-11,18H,5-7,9H2,1-2H3
InChIKeyWKOBMNZSDHNLBK-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.21
Rot. Bonds2

About 1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol

1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol (PubChem CID 103047644) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol
PubChem CID103047644
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(Cc2cc(Cl)ccc2F)C(C)C1
InChIInChI=1S/C15H20ClFO/c1-10-5-6-15(18,11(2)7-10)9-12-8-13(16)3-4-14(12)17/h3-4,8,10-11,18H,5-7,9H2,1-2H3
InChIKeyWKOBMNZSDHNLBK-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol (CID 103047644) is 1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol is CC1CCC(O)(Cc2cc(Cl)ccc2F)C(C)C1.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol?
The InChIKey is WKOBMNZSDHNLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-10-5-6-15(18,11(2)7-10)9-12-8-13(16)3-4-14(12)17/h3-4,8,10-11,18H,5-7,9H2,1-2H3.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol?
1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol has a molecular weight of 270.77 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 103047644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).