2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol

C16H15F3O — CID 106879490

IUPAC2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
SMILESCc1cc(F)cc(C)c1C(O)Cc1ccc(F)cc1F
InChIInChI=1S/C16H15F3O/c1-9-5-13(18)6-10(2)16(9)15(20)7-11-3-4-12(17)8-14(11)19/h3-6,8,15,20H,7H2,1-2H3
InChIKeyKKCZAFLUWUHGDN-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.00
Rot. Bonds3

About 2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol

2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol (PubChem CID 106879490) has the molecular formula C16H15F3O and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
PubChem CID106879490
Molecular FormulaC16H15F3O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
SMILESCc1cc(F)cc(C)c1C(O)Cc1ccc(F)cc1F
InChIInChI=1S/C16H15F3O/c1-9-5-13(18)6-10(2)16(9)15(20)7-11-3-4-12(17)8-14(11)19/h3-6,8,15,20H,7H2,1-2H3
InChIKeyKKCZAFLUWUHGDN-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63893918
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 107983845
1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 103405659
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 62538036
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 63895221
2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 63894517
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372816
1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448979
2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol
CID 115838318
1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346820

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol (CID 106879490) is 2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol is Cc1cc(F)cc(C)c1C(O)Cc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol?
The InChIKey is KKCZAFLUWUHGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O/c1-9-5-13(18)6-10(2)16(9)15(20)7-11-3-4-12(17)8-14(11)19/h3-6,8,15,20H,7H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol?
2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol has a molecular weight of 280.29 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol is sourced from PubChem (CID 106879490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).