1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol

C9H10F2O2 — CID 117281002

IUPAC1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol
SMILESCC(O)c1cc(F)c(F)cc1CO
InChIInChI=1S/C9H10F2O2/c1-5(13)7-3-9(11)8(10)2-6(7)4-12/h2-3,5,12-13H,4H2,1H3
InChIKeyLOJVDSGZNCRIOK-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.51
Rot. Bonds2

About 1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol

1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol (PubChem CID 117281002) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol
PubChem CID117281002
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol
SMILESCC(O)c1cc(F)c(F)cc1CO
InChIInChI=1S/C9H10F2O2/c1-5(13)7-3-9(11)8(10)2-6(7)4-12/h2-3,5,12-13H,4H2,1H3
InChIKeyLOJVDSGZNCRIOK-UHFFFAOYSA-N
XLogP1.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-aminopropyl)-4,5-difluorophenyl]methanol
CID 117289921
(4,5-difluoro-2-methylphenyl)methanol;ethane
CID 154686336
(1R)-1-(2,4,5-trifluorophenyl)propan-1-ol
CID 103304921
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
[2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol
CID 131151166
1-(5-chloro-2,4-difluorophenyl)ethanol
CID 117283331
(1R,2S)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 130641514
(1S,2R)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 131118070
1-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117113843
4-fluoro-5-(1-hydroxyethyl)-2-methylphenol
CID 117276801
(1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol
CID 107719948
2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84698228

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol?
The IUPAC name of 1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol (CID 117281002) is 1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol.
What is the SMILES notation for 1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol?
The canonical SMILES for 1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol is CC(O)c1cc(F)c(F)cc1CO.
What is the InChIKey of 1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol?
The InChIKey is LOJVDSGZNCRIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-5(13)7-3-9(11)8(10)2-6(7)4-12/h2-3,5,12-13H,4H2,1H3.
What are the key properties of 1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol?
1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol has a molecular weight of 188.17 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol is sourced from PubChem (CID 117281002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).