4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol

C16H21ClO — CID 142617777

IUPAC4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol
SMILESOC1CCC(c2ccc(Cl)c(C3CCC3)c2)CC1
InChIInChI=1S/C16H21ClO/c17-16-9-6-13(10-15(16)12-2-1-3-12)11-4-7-14(18)8-5-11/h6,9-12,14,18H,1-5,7-8H2
InChIKeyLSDPBIFCOMUKJO-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.63
Rot. Bonds2

About 4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol

4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol (PubChem CID 142617777) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is 4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol
PubChem CID142617777
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol
SMILESOC1CCC(c2ccc(Cl)c(C3CCC3)c2)CC1
InChIInChI=1S/C16H21ClO/c17-16-9-6-13(10-15(16)12-2-1-3-12)11-4-7-14(18)8-5-11/h6,9-12,14,18H,1-5,7-8H2
InChIKeyLSDPBIFCOMUKJO-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-chloro-3-cyclobutylphenyl)cyclohexan-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 4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol?
The IUPAC name of 4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol (CID 142617777) is 4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol is OC1CCC(c2ccc(Cl)c(C3CCC3)c2)CC1.
What is the InChIKey of 4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol?
The InChIKey is LSDPBIFCOMUKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO/c17-16-9-6-13(10-15(16)12-2-1-3-12)11-4-7-14(18)8-5-11/h6,9-12,14,18H,1-5,7-8H2.
What are the key properties of 4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol?
4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol has a molecular weight of 264.80 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 142617777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).