3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid

C9H8BrFO3 — CID 84710938

IUPAC3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1c(F)ccc(Br)c1O
InChIInChI=1S/C9H8BrFO3/c10-6-2-3-7(11)5(9(6)14)1-4-8(12)13/h2-3,14H,1,4H2,(H,12,13)
InChIKeyKVNUTEQHYDCZHE-UHFFFAOYSA-N
MW263.06 g/mol
LogP2.31
Rot. Bonds3

About 3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid

3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid (PubChem CID 84710938) has the molecular formula C9H8BrFO3 and a molecular weight of 263.06 g/mol. Its IUPAC name is 3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid
PubChem CID84710938
Molecular FormulaC9H8BrFO3
Molecular Weight263.06 g/mol
Exact Mass261.96
IUPAC Name3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1c(F)ccc(Br)c1O
InChIInChI=1S/C9H8BrFO3/c10-6-2-3-7(11)5(9(6)14)1-4-8(12)13/h2-3,14H,1,4H2,(H,12,13)
InChIKeyKVNUTEQHYDCZHE-UHFFFAOYSA-N
XLogP2.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-2,6-difluorophenyl)propanoic acid
CID 83402647
3-(3-bromo-2-chloro-6-fluorophenyl)propanoic acid
CID 117452025
3-(6-bromo-2-fluoro-3-hydroxyphenyl)propanoic acid
CID 84807152
2-(3-aminopropyl)-6-bromo-3-fluorophenol
CID 83900259
1-(3-bromo-6-fluoro-2-hydroxyphenyl)propan-2-one
CID 83900120
6-bromo-2-ethyl-3-fluorophenol
CID 130713861
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde
CID 83895378
3-(3-bromo-6-chloro-2-fluorophenyl)propanoic acid
CID 84812174
3-(3-bromo-2,4-difluorophenyl)propanoic acid
CID 84807517
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793424
4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
CID 83904447
3-(2-fluoro-3,6-dihydroxyphenyl)propanoic acid
CID 84775687

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid (CID 84710938) is 3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid is O=C(O)CCc1c(F)ccc(Br)c1O.
What is the InChIKey of 3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid?
The InChIKey is KVNUTEQHYDCZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO3/c10-6-2-3-7(11)5(9(6)14)1-4-8(12)13/h2-3,14H,1,4H2,(H,12,13).
What are the key properties of 3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid?
3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid has a molecular weight of 263.06 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 84710938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).