(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol

C17H26ClNO2 — CID 79697137

IUPAC(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
SMILESCOc1cc(C(O)C2(N(C)C)CCCC(C)C2)ccc1Cl
InChIInChI=1S/C17H26ClNO2/c1-12-6-5-9-17(11-12,19(2)3)16(20)13-7-8-14(18)15(10-13)21-4/h7-8,10,12,16,20H,5-6,9,11H2,1-4H3
InChIKeyPCKXEJBQXZPECB-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.89
Rot. Bonds4

About (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol

(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol (PubChem CID 79697137) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
PubChem CID79697137
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
SMILESCOc1cc(C(O)C2(N(C)C)CCCC(C)C2)ccc1Cl
InChIInChI=1S/C17H26ClNO2/c1-12-6-5-9-17(11-12,19(2)3)16(20)13-7-8-14(18)15(10-13)21-4/h7-8,10,12,16,20H,5-6,9,11H2,1-4H3
InChIKeyPCKXEJBQXZPECB-UHFFFAOYSA-N
XLogP3.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79074534
1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol
CID 103452210
(3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79075052
(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone
CID 79700332
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 107560479
[1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol
CID 79066938
1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243573
(4-chloro-3-methoxyphenyl)-(thian-3-yl)methanol
CID 114283113
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol
CID 82838251
[1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881112
1-[(3,4-dimethoxyphenyl)-hydroxymethyl]-3-methylcyclopentane-1-carbonitrile
CID 79131019

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol?
The IUPAC name of (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol (CID 79697137) is (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol is COc1cc(C(O)C2(N(C)C)CCCC(C)C2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol?
The InChIKey is PCKXEJBQXZPECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-12-6-5-9-17(11-12,19(2)3)16(20)13-7-8-14(18)15(10-13)21-4/h7-8,10,12,16,20H,5-6,9,11H2,1-4H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol?
(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol has a molecular weight of 311.85 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol is sourced from PubChem (CID 79697137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).