(3-chloro-4-methoxyphenyl)-cycloheptylmethanol

C15H21ClO2 — CID 62590019

IUPAC(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
SMILESCOc1ccc(C(O)C2CCCCCC2)cc1Cl
InChIInChI=1S/C15H21ClO2/c1-18-14-9-8-12(10-13(14)16)15(17)11-6-4-2-3-5-7-11/h8-11,15,17H,2-7H2,1H3
InChIKeyNKWLZVPYRIJEAX-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.35
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-cycloheptylmethanol

(3-chloro-4-methoxyphenyl)-cycloheptylmethanol (PubChem CID 62590019) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-cycloheptylmethanol.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
PubChem CID62590019
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
SMILESCOc1ccc(C(O)C2CCCCCC2)cc1Cl
InChIInChI=1S/C15H21ClO2/c1-18-14-9-8-12(10-13(14)16)15(17)11-6-4-2-3-5-7-11/h8-11,15,17H,2-7H2,1H3
InChIKeyNKWLZVPYRIJEAX-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chloro-4-methoxyphenyl)-cycloheptylmethanol 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

(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
(3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol
CID 65026372
(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol
CID 65026921
(3-chloro-4-methoxyphenyl)-(1,1-dioxothiolan-3-yl)methanol
CID 64904786
(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol
CID 82931298
cyclooctyl-(3,4-dichlorophenyl)methanol
CID 65023087
(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol
CID 54878443
cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
CID 115829463
2-(3-chloro-4-methoxyphenyl)-2-cyclohexylacetonitrile
CID 82091396
2-[(3-chloro-4-methoxyphenyl)-hydroxymethyl]cyclohexane-1-carboxylic acid
CID 43131153
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene
CID 63439505

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-cycloheptylmethanol?
The IUPAC name of (3-chloro-4-methoxyphenyl)-cycloheptylmethanol (CID 62590019) is (3-chloro-4-methoxyphenyl)-cycloheptylmethanol.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-cycloheptylmethanol?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-cycloheptylmethanol is COc1ccc(C(O)C2CCCCCC2)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-cycloheptylmethanol?
The InChIKey is NKWLZVPYRIJEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-18-14-9-8-12(10-13(14)16)15(17)11-6-4-2-3-5-7-11/h8-11,15,17H,2-7H2,1H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-cycloheptylmethanol?
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol has a molecular weight of 268.78 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-cycloheptylmethanol is sourced from PubChem (CID 62590019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).