(2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol

C16H23ClO2 — CID 104817235

IUPAC(2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol
SMILESCOc1cccc(Cl)c1C(O)C1CC(C)CC(C)C1
InChIInChI=1S/C16H23ClO2/c1-10-7-11(2)9-12(8-10)16(18)15-13(17)5-4-6-14(15)19-3/h4-6,10-12,16,18H,7-9H2,1-3H3
InChIKeyGSUPTBMDPQBYPL-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.45
Rot. Bonds3

About (2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol

(2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol (PubChem CID 104817235) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol
PubChem CID104817235
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name(2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol
SMILESCOc1cccc(Cl)c1C(O)C1CC(C)CC(C)C1
InChIInChI=1S/C16H23ClO2/c1-10-7-11(2)9-12(8-10)16(18)15-13(17)5-4-6-14(15)19-3/h4-6,10-12,16,18H,7-9H2,1-3H3
InChIKeyGSUPTBMDPQBYPL-UHFFFAOYSA-N
XLogP4.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol
CID 115838554
(2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol
CID 116810169
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol
CID 104817046
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-6-methoxyphenyl)ethanol
CID 104817177
(2-chloro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 104817103
1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859154
(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol
CID 105131631
2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid
CID 104816514
(3,5-dimethylcyclohexyl)-phenylmethanol
CID 64730076
(2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol
CID 106651584
(2-chloro-6-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 104817555

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol?
The IUPAC name of (2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol (CID 104817235) is (2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol.
What is the SMILES notation for (2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol?
The canonical SMILES for (2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol is COc1cccc(Cl)c1C(O)C1CC(C)CC(C)C1.
What is the InChIKey of (2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol?
The InChIKey is GSUPTBMDPQBYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-10-7-11(2)9-12(8-10)16(18)15-13(17)5-4-6-14(15)19-3/h4-6,10-12,16,18H,7-9H2,1-3H3.
What are the key properties of (2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol?
(2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol has a molecular weight of 282.81 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol is sourced from PubChem (CID 104817235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).