2-[2-(3-methoxyanilino)phenyl]acetic acid

C15H15NO3 — CID 18546395

IUPAC2-[2-(3-methoxyanilino)phenyl]acetic acid
SMILESCOc1cccc(Nc2ccccc2CC(=O)O)c1
InChIInChI=1S/C15H15NO3/c1-19-13-7-4-6-12(10-13)16-14-8-3-2-5-11(14)9-15(17)18/h2-8,10,16H,9H2,1H3,(H,17,18)
InChIKeyOTBLFUJEHSKJPG-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.07
Rot. Bonds5

About 2-[2-(3-methoxyanilino)phenyl]acetic acid

2-[2-(3-methoxyanilino)phenyl]acetic acid (PubChem CID 18546395) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[2-(3-methoxyanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-methoxyanilino)phenyl]acetic acid
PubChem CID18546395
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[2-(3-methoxyanilino)phenyl]acetic acid
SMILESCOc1cccc(Nc2ccccc2CC(=O)O)c1
InChIInChI=1S/C15H15NO3/c1-19-13-7-4-6-12(10-13)16-14-8-3-2-5-11(14)9-15(17)18/h2-8,10,16H,9H2,1H3,(H,17,18)
InChIKeyOTBLFUJEHSKJPG-UHFFFAOYSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
CID 153410783
CID 153410783
2-(3-methoxyanilino)benzoate
CID 6943552
2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid
CID 14389786
4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid
CID 119173444
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
2-[3-(4-methoxyanilino)phenyl]acetic acid
CID 155289963
N-[4-(3-methoxyanilino)phenyl]-2-(2-methylphenyl)acetamide
CID 112987456
6-(3-methoxyanilino)-1,3-benzodioxole-5-carboxylic acid
CID 15645729
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
2-[2-(3,4,5-trichloroanilino)phenyl]acetic acid
CID 18546366

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyanilino)phenyl]acetic acid?
The IUPAC name of 2-[2-(3-methoxyanilino)phenyl]acetic acid (CID 18546395) is 2-[2-(3-methoxyanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(3-methoxyanilino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(3-methoxyanilino)phenyl]acetic acid is COc1cccc(Nc2ccccc2CC(=O)O)c1.
What is the InChIKey of 2-[2-(3-methoxyanilino)phenyl]acetic acid?
The InChIKey is OTBLFUJEHSKJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-13-7-4-6-12(10-13)16-14-8-3-2-5-11(14)9-15(17)18/h2-8,10,16H,9H2,1H3,(H,17,18).
What are the key properties of 2-[2-(3-methoxyanilino)phenyl]acetic acid?
2-[2-(3-methoxyanilino)phenyl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyanilino)phenyl]acetic acid is sourced from PubChem (CID 18546395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).