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

C16H23ClO2 — CID 65026921

IUPAC(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)c2ccc(OC)c(Cl)c2)C1
InChIInChI=1S/C16H23ClO2/c1-3-11-5-4-6-12(9-11)16(18)13-7-8-15(19-2)14(17)10-13/h7-8,10-12,16,18H,3-6,9H2,1-2H3
InChIKeyBCVIBRNUVQNRKW-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.60
Rot. Bonds4

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

(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol (PubChem CID 65026921) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol
PubChem CID65026921
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)c2ccc(OC)c(Cl)c2)C1
InChIInChI=1S/C16H23ClO2/c1-3-11-5-4-6-12(9-11)16(18)13-7-8-15(19-2)14(17)10-13/h7-8,10-12,16,18H,3-6,9H2,1-2H3
InChIKeyBCVIBRNUVQNRKW-UHFFFAOYSA-N
XLogP4.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol
CID 65026372
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65414540
4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene
CID 63439505
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
CID 115808482
(3-ethylcyclopentyl)-(4-methoxyphenyl)methanol
CID 65409565
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol
CID 55187547
(3-chloro-4-methoxyphenyl)-(1,1-dioxothiolan-3-yl)methanol
CID 64904786
[4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol
CID 115808455
1-(3-ethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65401725
2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol
CID 65400931

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol (CID 65026921) is (3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol is CCC1CCCC(C(O)c2ccc(OC)c(Cl)c2)C1.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol?
The InChIKey is BCVIBRNUVQNRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-3-11-5-4-6-12(9-11)16(18)13-7-8-15(19-2)14(17)10-13/h7-8,10-12,16,18H,3-6,9H2,1-2H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol?
(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol has a molecular weight of 282.81 g/mol, XLogP of 4.60, 4 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-ethylcyclohexyl)methanol is sourced from PubChem (CID 65026921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).