3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid

C16H14Br2O3 — CID 79430808

IUPAC3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid
SMILESCOc1ccc(Br)c(CC(C(=O)O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H14Br2O3/c1-21-13-6-7-15(18)11(8-13)9-14(16(19)20)10-2-4-12(17)5-3-10/h2-8,14H,9H2,1H3,(H,19,20)
InChIKeyIXUOFSLPXQHNOQ-UHFFFAOYSA-N
MW414.09 g/mol
LogP4.63
Rot. Bonds5

About 3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid

3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid (PubChem CID 79430808) has the molecular formula C16H14Br2O3 and a molecular weight of 414.09 g/mol. Its IUPAC name is 3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid
PubChem CID79430808
Molecular FormulaC16H14Br2O3
Molecular Weight414.09 g/mol
Exact Mass411.93
IUPAC Name3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid
SMILESCOc1ccc(Br)c(CC(C(=O)O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H14Br2O3/c1-21-13-6-7-15(18)11(8-13)9-14(16(19)20)10-2-4-12(17)5-3-10/h2-8,14H,9H2,1H3,(H,19,20)
InChIKeyIXUOFSLPXQHNOQ-UHFFFAOYSA-N
XLogP4.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.09
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propanoic acid
CID 79431080
3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
CID 79437673
4-[1-carboxy-2-(2,5-dimethoxyphenyl)ethyl]benzoic acid
CID 82141846
3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid
CID 112721448
3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82141853
3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141810
2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22680594
2-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 131887523
4-(2-bromo-5-methoxyphenyl)-2-methylbutanoic acid
CID 81008924
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-2-one
CID 65323268
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid?
The IUPAC name of 3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid (CID 79430808) is 3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid.
What is the SMILES notation for 3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid?
The canonical SMILES for 3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid is COc1ccc(Br)c(CC(C(=O)O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid?
The InChIKey is IXUOFSLPXQHNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O3/c1-21-13-6-7-15(18)11(8-13)9-14(16(19)20)10-2-4-12(17)5-3-10/h2-8,14H,9H2,1H3,(H,19,20).
What are the key properties of 3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid?
3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid has a molecular weight of 414.09 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid is sourced from PubChem (CID 79430808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).