(3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol

C15H21ClO2 — CID 65026372

IUPAC(3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol
SMILESCOc1ccc(C(O)C2CCCC(C)C2)cc1Cl
InChIInChI=1S/C15H21ClO2/c1-10-4-3-5-11(8-10)15(17)12-6-7-14(18-2)13(16)9-12/h6-7,9-11,15,17H,3-5,8H2,1-2H3
InChIKeyBJTZLSIIQDDECU-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.21
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol

(3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol (PubChem CID 65026372) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol
PubChem CID65026372
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name(3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol
SMILESCOc1ccc(C(O)C2CCCC(C)C2)cc1Cl
InChIInChI=1S/C15H21ClO2/c1-10-4-3-5-11(8-10)15(17)12-6-7-14(18-2)13(16)9-12/h6-7,9-11,15,17H,3-5,8H2,1-2H3
InChIKeyBJTZLSIIQDDECU-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol
CID 55187547
(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol
CID 65026921
(3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol
CID 65026762
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
2-[(3-chloro-4-methoxyphenyl)-hydroxymethyl]cyclohexane-1-carboxylic acid
CID 43131153
(3-chloro-4-methoxyphenyl)-(1,1-dioxothiolan-3-yl)methanol
CID 64904786
2-[(3-chloro-4-methoxyphenyl)-hydroxymethyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392547
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
CID 55185865
(3-cyclobutylphenyl)-(3-methylcyclohexyl)methanol
CID 114601424
cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
CID 115829463
(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol
CID 54878443

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol (CID 65026372) is (3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol is COc1ccc(C(O)C2CCCC(C)C2)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol?
The InChIKey is BJTZLSIIQDDECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-10-4-3-5-11(8-10)15(17)12-6-7-14(18-2)13(16)9-12/h6-7,9-11,15,17H,3-5,8H2,1-2H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol?
(3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol has a molecular weight of 268.78 g/mol, XLogP of 4.21, 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)-(3-methylcyclohexyl)methanol is sourced from PubChem (CID 65026372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).