2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol

C16H22F2O2 — CID 116754421

IUPAC2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2ccc(F)c(F)c2)CCC(C)CC1
InChIInChI=1S/C16H22F2O2/c1-11-5-7-16(20-2,8-6-11)15(19)10-12-3-4-13(17)14(18)9-12/h3-4,9,11,15,19H,5-8,10H2,1-2H3
InChIKeyRGQKWKMAFYEAHP-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.46
Rot. Bonds4

About 2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol

2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol (PubChem CID 116754421) has the molecular formula C16H22F2O2 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
PubChem CID116754421
Molecular FormulaC16H22F2O2
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2ccc(F)c(F)c2)CCC(C)CC1
InChIInChI=1S/C16H22F2O2/c1-11-5-7-16(20-2,8-6-11)15(19)10-12-3-4-13(17)14(18)9-12/h3-4,9,11,15,19H,5-8,10H2,1-2H3
InChIKeyRGQKWKMAFYEAHP-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754525
2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 103039723
2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755577
2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755817
2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 114931718
2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754566
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 105373589
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol
CID 116754724
2-(4-fluorophenyl)-1-(1-methoxycyclopentyl)ethanol
CID 104610295
(2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754388
2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 82920862
(2-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754393

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol (CID 116754421) is 2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol is COC1(C(O)Cc2ccc(F)c(F)c2)CCC(C)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The InChIKey is RGQKWKMAFYEAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O2/c1-11-5-7-16(20-2,8-6-11)15(19)10-12-3-4-13(17)14(18)9-12/h3-4,9,11,15,19H,5-8,10H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol has a molecular weight of 284.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol is sourced from PubChem (CID 116754421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).