2-(3-bromophenyl)-4-hydroxybutanoic acid

C10H11BrO3 — CID 79440872

IUPAC2-(3-bromophenyl)-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)c1cccc(Br)c1
InChIInChI=1S/C10H11BrO3/c11-8-3-1-2-7(6-8)9(4-5-12)10(13)14/h1-3,6,9,12H,4-5H2,(H,13,14)
InChIKeyVSUOOLYFMXYEBV-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.00
Rot. Bonds4

About 2-(3-bromophenyl)-4-hydroxybutanoic acid

2-(3-bromophenyl)-4-hydroxybutanoic acid (PubChem CID 79440872) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-hydroxybutanoic acid
PubChem CID79440872
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name2-(3-bromophenyl)-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)c1cccc(Br)c1
InChIInChI=1S/C10H11BrO3/c11-8-3-1-2-7(6-8)9(4-5-12)10(13)14/h1-3,6,9,12H,4-5H2,(H,13,14)
InChIKeyVSUOOLYFMXYEBV-UHFFFAOYSA-N
XLogP2.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)pentanedioic acid
CID 82160246
2-(3-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid
CID 114930828
2-(3-bromophenyl)-3-(4-ethylphenyl)propanoic acid
CID 79441100
4-[2-(3-bromophenyl)-2-carboxyethyl]benzoic acid
CID 67211572
2-(3-bromophenyl)-3-(1,3-thiazol-5-yl)propanoic acid
CID 112641517
2-(3-bromophenyl)-2-hydroxyacetic acid
CID 2757028
2-(3-bromophenyl)-4-(3-methoxy-2-methylphenyl)butanoic acid
CID 69075304
(2S)-2-(3-bromophenyl)-4-(4-chlorophenyl)-4-oxobutanoic acid
CID 1483970
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
3-bromo-3-(3-bromophenyl)propanoic acid
CID 11150960
2-(3-bromophenyl)-2-phenylethanol
CID 118542656

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-hydroxybutanoic acid?
The IUPAC name of 2-(3-bromophenyl)-4-hydroxybutanoic acid (CID 79440872) is 2-(3-bromophenyl)-4-hydroxybutanoic acid.
What is the SMILES notation for 2-(3-bromophenyl)-4-hydroxybutanoic acid?
The canonical SMILES for 2-(3-bromophenyl)-4-hydroxybutanoic acid is O=C(O)C(CCO)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-4-hydroxybutanoic acid?
The InChIKey is VSUOOLYFMXYEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c11-8-3-1-2-7(6-8)9(4-5-12)10(13)14/h1-3,6,9,12H,4-5H2,(H,13,14).
What are the key properties of 2-(3-bromophenyl)-4-hydroxybutanoic acid?
2-(3-bromophenyl)-4-hydroxybutanoic acid has a molecular weight of 259.10 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-hydroxybutanoic acid is sourced from PubChem (CID 79440872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).