4-amino-3-phenylmethoxybenzoic acid

C14H13NO3 — CID 22503985

IUPAC4-amino-3-phenylmethoxybenzoic acid
SMILESNc1ccc(C(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C14H13NO3/c15-12-7-6-11(14(16)17)8-13(12)18-9-10-4-2-1-3-5-10/h1-8H,9,15H2,(H,16,17)
InChIKeyPWBOPGGFQRJTMA-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.55
Rot. Bonds4

About 4-amino-3-phenylmethoxybenzoic acid

4-amino-3-phenylmethoxybenzoic acid (PubChem CID 22503985) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-amino-3-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name4-amino-3-phenylmethoxybenzoic acid
PubChem CID22503985
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name4-amino-3-phenylmethoxybenzoic acid
SMILESNc1ccc(C(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C14H13NO3/c15-12-7-6-11(14(16)17)8-13(12)18-9-10-4-2-1-3-5-10/h1-8H,9,15H2,(H,16,17)
InChIKeyPWBOPGGFQRJTMA-UHFFFAOYSA-N
XLogP2.55
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-phenylmethoxybenzoic acid?
The IUPAC name of 4-amino-3-phenylmethoxybenzoic acid (CID 22503985) is 4-amino-3-phenylmethoxybenzoic acid.
What is the SMILES notation for 4-amino-3-phenylmethoxybenzoic acid?
The canonical SMILES for 4-amino-3-phenylmethoxybenzoic acid is Nc1ccc(C(=O)O)cc1OCc1ccccc1.
What is the InChIKey of 4-amino-3-phenylmethoxybenzoic acid?
The InChIKey is PWBOPGGFQRJTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c15-12-7-6-11(14(16)17)8-13(12)18-9-10-4-2-1-3-5-10/h1-8H,9,15H2,(H,16,17).
What are the key properties of 4-amino-3-phenylmethoxybenzoic acid?
4-amino-3-phenylmethoxybenzoic acid has a molecular weight of 243.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-phenylmethoxybenzoic acid is sourced from PubChem (CID 22503985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).