3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid

C14H10F2O4 — CID 63183962

IUPAC3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid
SMILESO=C(O)c1cc(F)c(Oc2cccc(CO)c2)c(F)c1
InChIInChI=1S/C14H10F2O4/c15-11-5-9(14(18)19)6-12(16)13(11)20-10-3-1-2-8(4-10)7-17/h1-6,17H,7H2,(H,18,19)
InChIKeyZRYIFZZOKLHKJG-UHFFFAOYSA-N
MW280.23 g/mol
LogP2.95
Rot. Bonds4

About 3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid

3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid (PubChem CID 63183962) has the molecular formula C14H10F2O4 and a molecular weight of 280.23 g/mol. Its IUPAC name is 3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid
PubChem CID63183962
Molecular FormulaC14H10F2O4
Molecular Weight280.23 g/mol
Exact Mass280.05
IUPAC Name3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid
SMILESO=C(O)c1cc(F)c(Oc2cccc(CO)c2)c(F)c1
InChIInChI=1S/C14H10F2O4/c15-11-5-9(14(18)19)6-12(16)13(11)20-10-3-1-2-8(4-10)7-17/h1-6,17H,7H2,(H,18,19)
InChIKeyZRYIFZZOKLHKJG-UHFFFAOYSA-N
XLogP2.95
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide
CID 79869376
[3-(3-fluorophenoxy)phenyl]methanol
CID 13255235
4-[4-(cyanomethyl)phenoxy]-3,5-difluorobenzoic acid
CID 63077037
2-bromo-3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid
CID 107540727
3,5-difluoro-4-(4-propan-2-ylphenoxy)benzoic acid
CID 63460686
4-(1,3-benzodioxol-5-yloxy)-3,5-difluorobenzoic acid
CID 63076520
4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid
CID 65124850
[3-(difluoromethoxy)phenyl]methanol
CID 2736994
4-(4-bromo-3,5-dimethylphenoxy)-3,5-difluorobenzoic acid
CID 107722947
[4-(3-ethylphenoxy)-3-fluorophenyl]methanol
CID 28945816
4-[[3-(hydroxymethyl)phenoxy]methyl]-3-methylbenzoic acid
CID 114485771
5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene
CID 63076376

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid?
The IUPAC name of 3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid (CID 63183962) is 3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid.
What is the SMILES notation for 3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid?
The canonical SMILES for 3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid is O=C(O)c1cc(F)c(Oc2cccc(CO)c2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid?
The InChIKey is ZRYIFZZOKLHKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O4/c15-11-5-9(14(18)19)6-12(16)13(11)20-10-3-1-2-8(4-10)7-17/h1-6,17H,7H2,(H,18,19).
What are the key properties of 3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid?
3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid has a molecular weight of 280.23 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid is sourced from PubChem (CID 63183962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).