2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol

C15H13F3O2 — CID 105405786

IUPAC2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2cc(F)cc(F)c2)c(F)c1
InChIInChI=1S/C15H13F3O2/c1-20-12-2-3-13(14(18)8-12)15(19)6-9-4-10(16)7-11(17)5-9/h2-5,7-8,15,19H,6H2,1H3
InChIKeyWXWMLTRBVANAMS-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.39
Rot. Bonds4

About 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol

2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol (PubChem CID 105405786) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
PubChem CID105405786
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2cc(F)cc(F)c2)c(F)c1
InChIInChI=1S/C15H13F3O2/c1-20-12-2-3-13(14(18)8-12)15(19)6-9-4-10(16)7-11(17)5-9/h2-5,7-8,15,19H,6H2,1H3
InChIKeyWXWMLTRBVANAMS-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

2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 63047363
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 61088668
(3,5-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61083265
1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 81304810
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
2-(2-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 61080545
1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol
CID 81304350
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol
CID 79699012
1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 81304349
4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid
CID 43561615
1-(2-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-1-ol
CID 103397475
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 63018074

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol (CID 105405786) is 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol is COc1ccc(C(O)Cc2cc(F)cc(F)c2)c(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is WXWMLTRBVANAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-20-12-2-3-13(14(18)8-12)15(19)6-9-4-10(16)7-11(17)5-9/h2-5,7-8,15,19H,6H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol?
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)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 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 105405786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).