2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol

C15H14F2O3 — CID 79887645

IUPAC2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol
SMILESOCc1cc(F)c(OCC(O)c2ccccc2)c(F)c1
InChIInChI=1S/C15H14F2O3/c16-12-6-10(8-18)7-13(17)15(12)20-9-14(19)11-4-2-1-3-5-11/h1-7,14,18-19H,8-9H2
InChIKeyGOJDMUMKQVSDFL-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.57
Rot. Bonds5

About 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol

2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol (PubChem CID 79887645) has the molecular formula C15H14F2O3 and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol.

Molecular Properties

Compound Name2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol
PubChem CID79887645
Molecular FormulaC15H14F2O3
Molecular Weight280.27 g/mol
Exact Mass280.09
IUPAC Name2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol
SMILESOCc1cc(F)c(OCC(O)c2ccccc2)c(F)c1
InChIInChI=1S/C15H14F2O3/c16-12-6-10(8-18)7-13(17)15(12)20-9-14(19)11-4-2-1-3-5-11/h1-7,14,18-19H,8-9H2
InChIKeyGOJDMUMKQVSDFL-UHFFFAOYSA-N
XLogP2.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol
CID 60885645
2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol
CID 46307287
3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 79887799
2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol
CID 107686254
2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 107675226
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol
CID 107718100
3-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 107689805
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
(1R)-1,2-diphenylethanol
CID 1379022
[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol
CID 79887800
5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 115298042
6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol
CID 107704167

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol?
The IUPAC name of 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol (CID 79887645) is 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol.
What is the SMILES notation for 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol?
The canonical SMILES for 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol is OCc1cc(F)c(OCC(O)c2ccccc2)c(F)c1.
What is the InChIKey of 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol?
The InChIKey is GOJDMUMKQVSDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O3/c16-12-6-10(8-18)7-13(17)15(12)20-9-14(19)11-4-2-1-3-5-11/h1-7,14,18-19H,8-9H2.
What are the key properties of 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol?
2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol has a molecular weight of 280.27 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol is sourced from PubChem (CID 79887645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).