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

C15H15NO3 — CID 19749467

IUPAC4-methoxy-2-(3-methylanilino)benzoic acid
SMILESCOc1ccc(C(=O)O)c(Nc2cccc(C)c2)c1
InChIInChI=1S/C15H15NO3/c1-10-4-3-5-11(8-10)16-14-9-12(19-2)6-7-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyCKNAJSIREWUAJH-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.45
Rot. Bonds4

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

4-methoxy-2-(3-methylanilino)benzoic acid (PubChem CID 19749467) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-methoxy-2-(3-methylanilino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(3-methylanilino)benzoic acid
PubChem CID19749467
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-methoxy-2-(3-methylanilino)benzoic acid
SMILESCOc1ccc(C(=O)O)c(Nc2cccc(C)c2)c1
InChIInChI=1S/C15H15NO3/c1-10-4-3-5-11(8-10)16-14-9-12(19-2)6-7-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyCKNAJSIREWUAJH-UHFFFAOYSA-N
XLogP3.45
TPSA58.56 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 ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3-methylanilino)benzoic acid?
The IUPAC name of 4-methoxy-2-(3-methylanilino)benzoic acid (CID 19749467) is 4-methoxy-2-(3-methylanilino)benzoic acid.
What is the SMILES notation for 4-methoxy-2-(3-methylanilino)benzoic acid?
The canonical SMILES for 4-methoxy-2-(3-methylanilino)benzoic acid is COc1ccc(C(=O)O)c(Nc2cccc(C)c2)c1.
What is the InChIKey of 4-methoxy-2-(3-methylanilino)benzoic acid?
The InChIKey is CKNAJSIREWUAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-4-3-5-11(8-10)16-14-9-12(19-2)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-methylanilino)benzoic acid?
4-methoxy-2-(3-methylanilino)benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(3-methylanilino)benzoic acid is sourced from PubChem (CID 19749467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).