1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol

C15H13F3O2 — CID 61099781

IUPAC1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol
SMILESCOc1cc(F)c(C(O)Cc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H13F3O2/c1-20-11-7-12(17)15(13(18)8-11)14(19)6-9-2-4-10(16)5-3-9/h2-5,7-8,14,19H,6H2,1H3
InChIKeySQDVTTDGFQLPHK-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.39
Rot. Bonds4

About 1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol

1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol (PubChem CID 61099781) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol
PubChem CID61099781
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol
SMILESCOc1cc(F)c(C(O)Cc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H13F3O2/c1-20-11-7-12(17)15(13(18)8-11)14(19)6-9-2-4-10(16)5-3-9/h2-5,7-8,14,19H,6H2,1H3
InChIKeySQDVTTDGFQLPHK-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106881014
1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol
CID 61100809
2-(4-fluorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanol
CID 63426002
2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115779451
1-(2,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 63018245
1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 63443286
2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine
CID 60964951
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 43561226
1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 60797865
1-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63017689
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 105405786

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol (CID 61099781) is 1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol is COc1cc(F)c(C(O)Cc2ccc(F)cc2)c(F)c1.
What is the InChIKey of 1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol?
The InChIKey is SQDVTTDGFQLPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-20-11-7-12(17)15(13(18)8-11)14(19)6-9-2-4-10(16)5-3-9/h2-5,7-8,14,19H,6H2,1H3.
What are the key properties of 1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol?
1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol has a molecular weight of 282.26 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 61099781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).