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

C14H18Cl2O — CID 64756639

IUPAC1-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(c2cc(Cl)ccc2Cl)C(C)C1
InChIInChI=1S/C14H18Cl2O/c1-9-5-6-14(17,10(2)7-9)12-8-11(15)3-4-13(12)16/h3-4,8-10,17H,5-7H2,1-2H3
InChIKeyASMJWSFQBXGYBP-UHFFFAOYSA-N
MW273.20 g/mol
LogP4.64
Rot. Bonds1

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

1-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol (PubChem CID 64756639) has the molecular formula C14H18Cl2O and a molecular weight of 273.20 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol
PubChem CID64756639
Molecular FormulaC14H18Cl2O
Molecular Weight273.20 g/mol
Exact Mass272.07
IUPAC Name1-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(c2cc(Cl)ccc2Cl)C(C)C1
InChIInChI=1S/C14H18Cl2O/c1-9-5-6-14(17,10(2)7-9)12-8-11(15)3-4-13(12)16/h3-4,8-10,17H,5-7H2,1-2H3
InChIKeyASMJWSFQBXGYBP-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-dichlorophenyl)-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-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol (CID 64756639) is 1-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol is CC1CCC(O)(c2cc(Cl)ccc2Cl)C(C)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol?
The InChIKey is ASMJWSFQBXGYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O/c1-9-5-6-14(17,10(2)7-9)12-8-11(15)3-4-13(12)16/h3-4,8-10,17H,5-7H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol?
1-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol has a molecular weight of 273.20 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64756639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).