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

C8H8F2O2 — CID 22630192

IUPAC[2,5-difluoro-4-(hydroxymethyl)phenyl]methanol
SMILESOCc1cc(F)c(CO)cc1F
InChIInChI=1S/C8H8F2O2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-2,11-12H,3-4H2
InChIKeyHZJCZHYTWNLVRT-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.95
Rot. Bonds2

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

[2,5-difluoro-4-(hydroxymethyl)phenyl]methanol (PubChem CID 22630192) has the molecular formula C8H8F2O2 and a molecular weight of 174.15 g/mol. Its IUPAC name is [2,5-difluoro-4-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[2,5-difluoro-4-(hydroxymethyl)phenyl]methanol
PubChem CID22630192
Molecular FormulaC8H8F2O2
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name[2,5-difluoro-4-(hydroxymethyl)phenyl]methanol
SMILESOCc1cc(F)c(CO)cc1F
InChIInChI=1S/C8H8F2O2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-2,11-12H,3-4H2
InChIKeyHZJCZHYTWNLVRT-UHFFFAOYSA-N
XLogP0.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,5-difluoro-4-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [2,5-difluoro-4-(hydroxymethyl)phenyl]methanol (CID 22630192) is [2,5-difluoro-4-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [2,5-difluoro-4-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [2,5-difluoro-4-(hydroxymethyl)phenyl]methanol is OCc1cc(F)c(CO)cc1F.
What is the InChIKey of [2,5-difluoro-4-(hydroxymethyl)phenyl]methanol?
The InChIKey is HZJCZHYTWNLVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-2,11-12H,3-4H2.
What are the key properties of [2,5-difluoro-4-(hydroxymethyl)phenyl]methanol?
[2,5-difluoro-4-(hydroxymethyl)phenyl]methanol has a molecular weight of 174.15 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-difluoro-4-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 22630192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).