2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid

C11H13BrO4 — CID 84814609

IUPAC2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(C(C)C(=O)O)c(OC)c1Br
InChIInChI=1S/C11H13BrO4/c1-6(11(13)14)7-4-5-8(15-2)9(12)10(7)16-3/h4-6H,1-3H3,(H,13,14)
InChIKeyOAQWPNMJMUIYDT-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.65
Rot. Bonds4

About 2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid

2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid (PubChem CID 84814609) has the molecular formula C11H13BrO4 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid
PubChem CID84814609
Molecular FormulaC11H13BrO4
Molecular Weight289.13 g/mol
Exact Mass288.00
IUPAC Name2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(C(C)C(=O)O)c(OC)c1Br
InChIInChI=1S/C11H13BrO4/c1-6(11(13)14)7-4-5-8(15-2)9(12)10(7)16-3/h4-6H,1-3H3,(H,13,14)
InChIKeyOAQWPNMJMUIYDT-UHFFFAOYSA-N
XLogP2.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(3-bromo-2,4-dimethoxyphenyl)propanoate
CID 103523778
2-(2-bromo-4,5-dimethoxy-3-methylphenyl)propanoic acid
CID 154304830
(4S)-4-(3-bromo-2,4-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 114207364
2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid
CID 131855492
3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 103524126
ethyl 2-(3-bromo-2,4-dimethoxyphenyl)butanoate
CID 103523779
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
2-(4-amino-2-methoxyphenyl)propanoic acid
CID 141079881
2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid
CID 117337126
3-bromo-4-methoxy-2-propan-2-yloxybenzoic acid
CID 14276515
2-(3-chloro-4-fluoro-2-methoxyphenyl)propanoic acid
CID 117337131
2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one
CID 84814233

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid?
The IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid (CID 84814609) is 2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid?
The canonical SMILES for 2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid is COc1ccc(C(C)C(=O)O)c(OC)c1Br.
What is the InChIKey of 2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid?
The InChIKey is OAQWPNMJMUIYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO4/c1-6(11(13)14)7-4-5-8(15-2)9(12)10(7)16-3/h4-6H,1-3H3,(H,13,14).
What are the key properties of 2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid?
2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid has a molecular weight of 289.13 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 84814609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).