1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol

C15H21ClO2 — CID 79700558

IUPAC1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol
SMILESCOc1cc(C2(O)CCCC(C)(C)C2)ccc1Cl
InChIInChI=1S/C15H21ClO2/c1-14(2)7-4-8-15(17,10-14)11-5-6-12(16)13(9-11)18-3/h5-6,9,17H,4,7-8,10H2,1-3H3
InChIKeyMHYAGOAPGHXNQW-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.14
Rot. Bonds2

About 1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol

1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol (PubChem CID 79700558) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol
PubChem CID79700558
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol
SMILESCOc1cc(C2(O)CCCC(C)(C)C2)ccc1Cl
InChIInChI=1S/C15H21ClO2/c1-14(2)7-4-8-15(17,10-14)11-5-6-12(16)13(9-11)18-3/h5-6,9,17H,4,7-8,10H2,1-3H3
InChIKeyMHYAGOAPGHXNQW-UHFFFAOYSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-3-methoxyphenyl)-3,3-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

Related Compounds

8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol
CID 114819278
1-(3,4-dichlorophenyl)-4,4-dimethylcycloheptan-1-ol
CID 65085693
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol
CID 79711459
1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol
CID 175270286
tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate
CID 68503586
1-[4-(1-hydroxy-3,3-dimethylcyclohexyl)phenyl]ethanone
CID 22390427
1-(4-chloro-3-methoxyphenyl)-2,3-dimethylcyclohexan-1-amine
CID 79698794
8-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol
CID 79699596
1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117303343
1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol
CID 107359043
4-(4-chloro-3-methoxyphenyl)oxan-4-amine
CID 79700577

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol (CID 79700558) is 1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol is COc1cc(C2(O)CCCC(C)(C)C2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol?
The InChIKey is MHYAGOAPGHXNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-14(2)7-4-8-15(17,10-14)11-5-6-12(16)13(9-11)18-3/h5-6,9,17H,4,7-8,10H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol?
1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol has a molecular weight of 268.78 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79700558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).