(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol

C16H23ClO2 — CID 116755230

IUPAC(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
SMILESCCOC1(C(O)c2ccc(Cl)cc2)CCCC(C)C1
InChIInChI=1S/C16H23ClO2/c1-3-19-16(10-4-5-12(2)11-16)15(18)13-6-8-14(17)9-7-13/h6-9,12,15,18H,3-5,10-11H2,1-2H3
InChIKeyIVBGTAGSXFIZQX-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.36
Rot. Bonds4

About (4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol

(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol (PubChem CID 116755230) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is (4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
PubChem CID116755230
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
SMILESCCOC1(C(O)c2ccc(Cl)cc2)CCCC(C)C1
InChIInChI=1S/C16H23ClO2/c1-3-19-16(10-4-5-12(2)11-16)15(18)13-6-8-14(17)9-7-13/h6-9,12,15,18H,3-5,10-11H2,1-2H3
InChIKeyIVBGTAGSXFIZQX-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768047
(1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
CID 116755312
(1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol
CID 116755152
2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116779678
(1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol
CID 116754992
2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755178
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 114645888
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116755351
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202
(2-amino-3-pyridinyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755162
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol?
The IUPAC name of (4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol (CID 116755230) is (4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol?
The canonical SMILES for (4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol is CCOC1(C(O)c2ccc(Cl)cc2)CCCC(C)C1.
What is the InChIKey of (4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol?
The InChIKey is IVBGTAGSXFIZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-3-19-16(10-4-5-12(2)11-16)15(18)13-6-8-14(17)9-7-13/h6-9,12,15,18H,3-5,10-11H2,1-2H3.
What are the key properties of (4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol?
(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol has a molecular weight of 282.81 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol is sourced from PubChem (CID 116755230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).