2-(2-phenoxyanilino)benzoic acid

C19H15NO3 — CID 44521009

IUPAC2-(2-phenoxyanilino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C19H15NO3/c21-19(22)15-10-4-5-11-16(15)20-17-12-6-7-13-18(17)23-14-8-2-1-3-9-14/h1-13,20H,(H,21,22)
InChIKeyHVXLNZLDGCZUGD-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.92
Rot. Bonds5

About 2-(2-phenoxyanilino)benzoic acid

2-(2-phenoxyanilino)benzoic acid (PubChem CID 44521009) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(2-phenoxyanilino)benzoic acid.

Molecular Properties

Compound Name2-(2-phenoxyanilino)benzoic acid
PubChem CID44521009
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name2-(2-phenoxyanilino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C19H15NO3/c21-19(22)15-10-4-5-11-16(15)20-17-12-6-7-13-18(17)23-14-8-2-1-3-9-14/h1-13,20H,(H,21,22)
InChIKeyHVXLNZLDGCZUGD-UHFFFAOYSA-N
XLogP4.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyanilino)benzoic acid?
The IUPAC name of 2-(2-phenoxyanilino)benzoic acid (CID 44521009) is 2-(2-phenoxyanilino)benzoic acid.
What is the SMILES notation for 2-(2-phenoxyanilino)benzoic acid?
The canonical SMILES for 2-(2-phenoxyanilino)benzoic acid is O=C(O)c1ccccc1Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(2-phenoxyanilino)benzoic acid?
The InChIKey is HVXLNZLDGCZUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-19(22)15-10-4-5-11-16(15)20-17-12-6-7-13-18(17)23-14-8-2-1-3-9-14/h1-13,20H,(H,21,22).
What are the key properties of 2-(2-phenoxyanilino)benzoic acid?
2-(2-phenoxyanilino)benzoic acid has a molecular weight of 305.33 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyanilino)benzoic acid is sourced from PubChem (CID 44521009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).