2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol

C16H23ClO2 — CID 116754964

IUPAC2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2ccccc2Cl)CCCC(C)C1
InChIInChI=1S/C16H23ClO2/c1-12-6-5-9-16(11-12,19-2)15(18)10-13-7-3-4-8-14(13)17/h3-4,7-8,12,15,18H,5-6,9-11H2,1-2H3
InChIKeyVOQCFZQCGRQVLO-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.84
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol

2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol (PubChem CID 116754964) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
PubChem CID116754964
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2ccccc2Cl)CCCC(C)C1
InChIInChI=1S/C16H23ClO2/c1-12-6-5-9-16(11-12,19-2)15(18)10-13-7-3-4-8-14(13)17/h3-4,7-8,12,15,18H,5-6,9-11H2,1-2H3
InChIKeyVOQCFZQCGRQVLO-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 107308282
[2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 107312803
(1-methoxy-3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 116755079
1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767849
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754910
2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755178
2-(2,3-dichlorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 107308285
2-(2-chlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753633
1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol
CID 116755093
[2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 105277526
2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767463
2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116779678

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol?
The IUPAC name of 2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol (CID 116754964) is 2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol is COC1(C(O)Cc2ccccc2Cl)CCCC(C)C1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol?
The InChIKey is VOQCFZQCGRQVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-12-6-5-9-16(11-12,19-2)15(18)10-13-7-3-4-8-14(13)17/h3-4,7-8,12,15,18H,5-6,9-11H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol?
2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol has a molecular weight of 282.81 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol is sourced from PubChem (CID 116754964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).