1-[2-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-1-ol

C22H25ClO — CID 155399604

IUPAC1-[2-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-1-ol
SMILESC=C1CC(CC)CC(C)C1(O)c1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClO/c1-4-17-13-15(2)22(24,16(3)14-17)21-8-6-5-7-20(21)18-9-11-19(23)12-10-18/h5-12,16-17,24H,2,4,13-14H2,1,3H3
InChIKeyDGYICYROGNLUIL-UHFFFAOYSA-N
MW340.89 g/mol
LogP6.21
Rot. Bonds3

About 1-[2-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-1-ol

1-[2-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-1-ol (PubChem CID 155399604) has the molecular formula C22H25ClO and a molecular weight of 340.89 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-1-ol
PubChem CID155399604
Molecular FormulaC22H25ClO
Molecular Weight340.89 g/mol
Exact Mass340.16
IUPAC Name1-[2-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-1-ol
SMILESC=C1CC(CC)CC(C)C1(O)c1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClO/c1-4-17-13-15(2)22(24,16(3)14-17)21-8-6-5-7-20(21)18-9-11-19(23)12-10-18/h5-12,16-17,24H,2,4,13-14H2,1,3H3
InChIKeyDGYICYROGNLUIL-UHFFFAOYSA-N
XLogP6.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.89
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-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-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-1-ol?
The IUPAC name of 1-[2-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-1-ol (CID 155399604) is 1-[2-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-1-ol.
What is the SMILES notation for 1-[2-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-1-ol?
The canonical SMILES for 1-[2-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-1-ol is C=C1CC(CC)CC(C)C1(O)c1ccccc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-1-ol?
The InChIKey is DGYICYROGNLUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClO/c1-4-17-13-15(2)22(24,16(3)14-17)21-8-6-5-7-20(21)18-9-11-19(23)12-10-18/h5-12,16-17,24H,2,4,13-14H2,1,3H3.
What are the key properties of 1-[2-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-1-ol?
1-[2-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-1-ol has a molecular weight of 340.89 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)phenyl]-4-ethyl-2-methyl-6-methylidenecyclohexan-1-ol is sourced from PubChem (CID 155399604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).