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

C16H15BrO3 — CID 79439722

IUPAC2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2ccccc2Br)cc1
InChIInChI=1S/C16H15BrO3/c1-20-12-8-6-11(7-9-12)10-14(16(18)19)13-4-2-3-5-15(13)17/h2-9,14H,10H2,1H3,(H,18,19)
InChIKeyMAUYULJFFUCFKF-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.87
Rot. Bonds5

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

2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid (PubChem CID 79439722) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid
PubChem CID79439722
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2ccccc2Br)cc1
InChIInChI=1S/C16H15BrO3/c1-20-12-8-6-11(7-9-12)10-14(16(18)19)13-4-2-3-5-15(13)17/h2-9,14H,10H2,1H3,(H,18,19)
InChIKeyMAUYULJFFUCFKF-UHFFFAOYSA-N
XLogP3.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741
2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953446
(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
CID 42051191
3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20986100
3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82095196
2,3-bis[(4-methoxyphenyl)methyl]-1,4-diphenylbutane-1,4-dione
CID 14434324
2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride
CID 163377865
2-[(4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 69402022
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 104565058
3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82140730

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid (CID 79439722) is 2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid is COc1ccc(CC(C(=O)O)c2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is MAUYULJFFUCFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-20-12-8-6-11(7-9-12)10-14(16(18)19)13-4-2-3-5-15(13)17/h2-9,14H,10H2,1H3,(H,18,19).
What are the key properties of 2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid?
2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 335.20 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 79439722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).