2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol

C15H12Cl2F2O — CID 82816292

IUPAC2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
SMILESCc1ccc(F)c(C(O)Cc2ccc(Cl)c(Cl)c2)c1F
InChIInChI=1S/C15H12Cl2F2O/c1-8-2-5-12(18)14(15(8)19)13(20)7-9-3-4-10(16)11(17)6-9/h2-6,13,20H,7H2,1H3
InChIKeyIGHLDBCUWPCCFR-UHFFFAOYSA-N
MW317.16 g/mol
LogP4.86
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol

2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol (PubChem CID 82816292) has the molecular formula C15H12Cl2F2O and a molecular weight of 317.16 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
PubChem CID82816292
Molecular FormulaC15H12Cl2F2O
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
SMILESCc1ccc(F)c(C(O)Cc2ccc(Cl)c(Cl)c2)c1F
InChIInChI=1S/C15H12Cl2F2O/c1-8-2-5-12(18)14(15(8)19)13(20)7-9-3-4-10(16)11(17)6-9/h2-6,13,20H,7H2,1H3
InChIKeyIGHLDBCUWPCCFR-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol
CID 106941955
2-(3,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 55134453
2-(4-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 82815992
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607682
2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 107883521
2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 62607593
1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol
CID 82823117
2-(4-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 107883519
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 82815536
1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347424
2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121637
2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 63045810

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol (CID 82816292) is 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol is Cc1ccc(F)c(C(O)Cc2ccc(Cl)c(Cl)c2)c1F.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol?
The InChIKey is IGHLDBCUWPCCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2O/c1-8-2-5-12(18)14(15(8)19)13(20)7-9-3-4-10(16)11(17)6-9/h2-6,13,20H,7H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol?
2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol has a molecular weight of 317.16 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol is sourced from PubChem (CID 82816292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).