2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol

C16H22ClFO2 — CID 103039723

IUPAC2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2ccc(F)c(Cl)c2)CCC(C)CC1
InChIInChI=1S/C16H22ClFO2/c1-11-5-7-16(20-2,8-6-11)15(19)10-12-3-4-14(18)13(17)9-12/h3-4,9,11,15,19H,5-8,10H2,1-2H3
InChIKeyRYSXHMQNPIDDJV-UHFFFAOYSA-N
MW300.80 g/mol
LogP3.98
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol

2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol (PubChem CID 103039723) has the molecular formula C16H22ClFO2 and a molecular weight of 300.80 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
PubChem CID103039723
Molecular FormulaC16H22ClFO2
Molecular Weight300.80 g/mol
Exact Mass300.13
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2ccc(F)c(Cl)c2)CCC(C)CC1
InChIInChI=1S/C16H22ClFO2/c1-11-5-7-16(20-2,8-6-11)15(19)10-12-3-4-14(18)13(17)9-12/h3-4,9,11,15,19H,5-8,10H2,1-2H3
InChIKeyRYSXHMQNPIDDJV-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754421
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754525
2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 114931718
2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755577
2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754566
2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755817
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 105373589
2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755700
[2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
CID 103044091
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol
CID 116754724
[2-(5-chloro-2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 103053729
2-(4-fluorophenyl)-1-(1-methoxycyclopentyl)ethanol
CID 104610295

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol (CID 103039723) is 2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol is COC1(C(O)Cc2ccc(F)c(Cl)c2)CCC(C)CC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The InChIKey is RYSXHMQNPIDDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFO2/c1-11-5-7-16(20-2,8-6-11)15(19)10-12-3-4-14(18)13(17)9-12/h3-4,9,11,15,19H,5-8,10H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol has a molecular weight of 300.80 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol is sourced from PubChem (CID 103039723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).