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

C15H20F2O — CID 106828875

IUPAC2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol
SMILESCC1(C(O)Cc2cccc(F)c2F)CCCCC1
InChIInChI=1S/C15H20F2O/c1-15(8-3-2-4-9-15)13(18)10-11-6-5-7-12(16)14(11)17/h5-7,13,18H,2-4,8-10H2,1H3
InChIKeyCVUGNQNHBHRLPC-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.84
Rot. Bonds3

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

2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol (PubChem CID 106828875) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol
PubChem CID106828875
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol
SMILESCC1(C(O)Cc2cccc(F)c2F)CCCCC1
InChIInChI=1S/C15H20F2O/c1-15(8-3-2-4-9-15)13(18)10-11-6-5-7-12(16)14(11)17/h5-7,13,18H,2-4,8-10H2,1H3
InChIKeyCVUGNQNHBHRLPC-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106828868
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106831059
2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107179648
(2,6-difluorophenyl)-(1-methylcyclopentyl)methanol
CID 115799747
2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopentyl)ethanol
CID 105377576
[2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107193665
2-(furan-2-yl)-1-(1-methylcyclopentyl)ethanol
CID 115830206
1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452151
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452055
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
1-(2,3-difluorophenyl)-4-methylpentan-2-ol
CID 62606503

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol (CID 106828875) is 2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol is CC1(C(O)Cc2cccc(F)c2F)CCCCC1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol?
The InChIKey is CVUGNQNHBHRLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-15(8-3-2-4-9-15)13(18)10-11-6-5-7-12(16)14(11)17/h5-7,13,18H,2-4,8-10H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol?
2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol has a molecular weight of 254.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol is sourced from PubChem (CID 106828875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).