4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid

C10H10F2O3 — CID 117307682

IUPAC4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid
SMILESO=C(O)CCCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C10H10F2O3/c11-7-4-6(2-1-3-9(13)14)5-8(12)10(7)15/h4-5,15H,1-3H2,(H,13,14)
InChIKeyVNYIATQYOXFHEH-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.08
Rot. Bonds4

About 4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid

4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid (PubChem CID 117307682) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid
PubChem CID117307682
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid
SMILESO=C(O)CCCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C10H10F2O3/c11-7-4-6(2-1-3-9(13)14)5-8(12)10(7)15/h4-5,15H,1-3H2,(H,13,14)
InChIKeyVNYIATQYOXFHEH-UHFFFAOYSA-N
XLogP2.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3,5-difluoro-4-hydroxyphenyl)octanoic acid
CID 70316080
3-(3-fluoro-4,5-dihydroxyphenyl)propanoic acid
CID 117289030
4-(3,5-difluoro-4-methylsulfanylphenyl)butanoic acid
CID 117367788
1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one
CID 141151688
9-(3,4,5-trihydroxyphenyl)nonanoic acid
CID 162392807
17-(3,4,5-trihydroxyphenyl)heptadecanoic acid
CID 162392819
5-(3-carboxypropyl)-3-fluoro-2-methoxybenzoic acid
CID 117393487
3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid
CID 117304986
4-(3,5-diaminophenyl)butanoic acid
CID 151286992
4-(3-fluoro-5-methoxycarbonyl-4-methylphenyl)butanoic acid
CID 117388529
4-(7-fluoro-1-methyl-2-oxo-3H-indol-5-yl)butanoic acid
CID 117380669
4-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)butanoic acid
CID 117428637

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid?
The IUPAC name of 4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid (CID 117307682) is 4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid?
The canonical SMILES for 4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid is O=C(O)CCCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid?
The InChIKey is VNYIATQYOXFHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c11-7-4-6(2-1-3-9(13)14)5-8(12)10(7)15/h4-5,15H,1-3H2,(H,13,14).
What are the key properties of 4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid?
4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid has a molecular weight of 216.18 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 117307682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).