2-(4-bromo-3-methoxyphenyl)propanoic acid

C10H11BrO3 — CID 83733451

IUPAC2-(4-bromo-3-methoxyphenyl)propanoic acid
SMILESCOc1cc(C(C)C(=O)O)ccc1Br
InChIInChI=1S/C10H11BrO3/c1-6(10(12)13)7-3-4-8(11)9(5-7)14-2/h3-6H,1-2H3,(H,12,13)
InChIKeyOPWONCBAZIWYSY-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.65
Rot. Bonds3

About 2-(4-bromo-3-methoxyphenyl)propanoic acid

2-(4-bromo-3-methoxyphenyl)propanoic acid (PubChem CID 83733451) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(4-bromo-3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-bromo-3-methoxyphenyl)propanoic acid
PubChem CID83733451
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name2-(4-bromo-3-methoxyphenyl)propanoic acid
SMILESCOc1cc(C(C)C(=O)O)ccc1Br
InChIInChI=1S/C10H11BrO3/c1-6(10(12)13)7-3-4-8(11)9(5-7)14-2/h3-6H,1-2H3,(H,12,13)
InChIKeyOPWONCBAZIWYSY-UHFFFAOYSA-N
XLogP2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid
CID 117302887
2-(4-methoxy-3-methylsulfonylphenyl)propanoic acid
CID 117399322
1-bromo-4-butan-2-yl-2-methoxybenzene;ethane
CID 166461083
(3S)-3-(3-methoxy-4-methylphenyl)butan-2-one
CID 143900211
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-(3,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117321873
3-(4-bromo-3-methoxyanilino)-2-methylpropanoic acid
CID 82867283
ethyl 3-(4-bromo-3-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171867216
(2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid
CID 13075209

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(4-bromo-3-methoxyphenyl)propanoic acid (CID 83733451) is 2-(4-bromo-3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-bromo-3-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-bromo-3-methoxyphenyl)propanoic acid is COc1cc(C(C)C(=O)O)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methoxyphenyl)propanoic acid?
The InChIKey is OPWONCBAZIWYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-6(10(12)13)7-3-4-8(11)9(5-7)14-2/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-(4-bromo-3-methoxyphenyl)propanoic acid?
2-(4-bromo-3-methoxyphenyl)propanoic acid has a molecular weight of 259.10 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 83733451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).