4-methoxy-2-(3-methoxyanilino)benzoic acid

C15H15NO4 — CID 54436150

IUPAC4-methoxy-2-(3-methoxyanilino)benzoic acid
SMILESCOc1cccc(Nc2cc(OC)ccc2C(=O)O)c1
InChIInChI=1S/C15H15NO4/c1-19-11-5-3-4-10(8-11)16-14-9-12(20-2)6-7-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyWKVVYZAWSBHCMA-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.15
Rot. Bonds5

About 4-methoxy-2-(3-methoxyanilino)benzoic acid

4-methoxy-2-(3-methoxyanilino)benzoic acid (PubChem CID 54436150) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-methoxy-2-(3-methoxyanilino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(3-methoxyanilino)benzoic acid
PubChem CID54436150
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name4-methoxy-2-(3-methoxyanilino)benzoic acid
SMILESCOc1cccc(Nc2cc(OC)ccc2C(=O)O)c1
InChIInChI=1S/C15H15NO4/c1-19-11-5-3-4-10(8-11)16-14-9-12(20-2)6-7-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyWKVVYZAWSBHCMA-UHFFFAOYSA-N
XLogP3.15
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3-methoxyanilino)benzoic acid?
The IUPAC name of 4-methoxy-2-(3-methoxyanilino)benzoic acid (CID 54436150) is 4-methoxy-2-(3-methoxyanilino)benzoic acid.
What is the SMILES notation for 4-methoxy-2-(3-methoxyanilino)benzoic acid?
The canonical SMILES for 4-methoxy-2-(3-methoxyanilino)benzoic acid is COc1cccc(Nc2cc(OC)ccc2C(=O)O)c1.
What is the InChIKey of 4-methoxy-2-(3-methoxyanilino)benzoic acid?
The InChIKey is WKVVYZAWSBHCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-11-5-3-4-10(8-11)16-14-9-12(20-2)6-7-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-2-(3-methoxyanilino)benzoic acid?
4-methoxy-2-(3-methoxyanilino)benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(3-methoxyanilino)benzoic acid is sourced from PubChem (CID 54436150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).