2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol

C17H25ClO2 — CID 116755700

IUPAC2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2cccc(Cl)c2)CCC(C)(C)CC1
InChIInChI=1S/C17H25ClO2/c1-16(2)7-9-17(20-3,10-8-16)15(19)12-13-5-4-6-14(18)11-13/h4-6,11,15,19H,7-10,12H2,1-3H3
InChIKeyFJNYVLSMSHGBSL-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.23
Rot. Bonds4

About 2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol

2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol (PubChem CID 116755700) has the molecular formula C17H25ClO2 and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
PubChem CID116755700
Molecular FormulaC17H25ClO2
Molecular Weight296.84 g/mol
Exact Mass296.15
IUPAC Name2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2cccc(Cl)c2)CCC(C)(C)CC1
InChIInChI=1S/C17H25ClO2/c1-16(2)7-9-17(20-3,10-8-16)15(19)12-13-5-4-6-14(18)11-13/h4-6,11,15,19H,7-10,12H2,1-3H3
InChIKeyFJNYVLSMSHGBSL-UHFFFAOYSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105278104
2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755577
2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 106867603
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754296
2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65389818
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754566
1-(1-methoxycyclobutyl)-2-phenylethanol
CID 116710482
2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 103039723
2-(3-chlorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714621
2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769029
2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755725

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol (CID 116755700) is 2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol is COC1(C(O)Cc2cccc(Cl)c2)CCC(C)(C)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol?
The InChIKey is FJNYVLSMSHGBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO2/c1-16(2)7-9-17(20-3,10-8-16)15(19)12-13-5-4-6-14(18)11-13/h4-6,11,15,19H,7-10,12H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol?
2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol has a molecular weight of 296.84 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol is sourced from PubChem (CID 116755700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).