2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid

C15H15NO3 — CID 176513636

IUPAC2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1cccc(N)c1
InChIInChI=1S/C15H15NO3/c1-19-14-6-5-10(8-15(17)18)7-13(14)11-3-2-4-12(16)9-11/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKeyJYLVUUUZYMEXQI-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.57
Rot. Bonds4

About 2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid

2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid (PubChem CID 176513636) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid
PubChem CID176513636
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1cccc(N)c1
InChIInChI=1S/C15H15NO3/c1-19-14-6-5-10(8-15(17)18)7-13(14)11-3-2-4-12(16)9-11/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKeyJYLVUUUZYMEXQI-UHFFFAOYSA-N
XLogP2.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
CID 176513648
2-[4-methoxy-3-(4-methylsulfonylphenyl)phenyl]acetic acid
CID 176513646
[3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate
CID 141248604
2-[3-chloro-4-(3-methoxyphenyl)phenyl]acetic acid
CID 176516046
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
2-(3-iodo-4-methoxyphenyl)acetic acid
CID 13353983
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
CID 58019873
2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid
CID 176513629
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
4-methoxy-3-(3-methylphenyl)aniline
CID 39243259
2-[3-(iodomethyl)-4-methoxyphenyl]acetic acid
CID 147269305

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid?
The IUPAC name of 2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid (CID 176513636) is 2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid is COc1ccc(CC(=O)O)cc1-c1cccc(N)c1.
What is the InChIKey of 2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid?
The InChIKey is JYLVUUUZYMEXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-14-6-5-10(8-15(17)18)7-13(14)11-3-2-4-12(16)9-11/h2-7,9H,8,16H2,1H3,(H,17,18).
What are the key properties of 2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid?
2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid is sourced from PubChem (CID 176513636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).