2-amino-4-(2-phenylphenoxy)benzoic acid

C19H15NO3 — CID 175030921

IUPAC2-amino-4-(2-phenylphenoxy)benzoic acid
SMILESNc1cc(Oc2ccccc2-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C19H15NO3/c20-17-12-14(10-11-16(17)19(21)22)23-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H,20H2,(H,21,22)
InChIKeyZSXFQZLPNOFGGE-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.43
Rot. Bonds4

About 2-amino-4-(2-phenylphenoxy)benzoic acid

2-amino-4-(2-phenylphenoxy)benzoic acid (PubChem CID 175030921) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-amino-4-(2-phenylphenoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-4-(2-phenylphenoxy)benzoic acid
PubChem CID175030921
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name2-amino-4-(2-phenylphenoxy)benzoic acid
SMILESNc1cc(Oc2ccccc2-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C19H15NO3/c20-17-12-14(10-11-16(17)19(21)22)23-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H,20H2,(H,21,22)
InChIKeyZSXFQZLPNOFGGE-UHFFFAOYSA-N
XLogP4.43
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2,4-dichlorophenoxy)benzoic acid
CID 113419891
2-amino-4-(2-hydroxyethoxy)benzoic acid
CID 104501008
2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol
CID 129308077
2-(4-amino-3-fluorophenoxy)benzoic acid
CID 175103965
1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone
CID 107711840
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
2-amino-4-(4-cyano-2-fluorophenoxy)benzoic acid
CID 107667496
2-chloro-4-(2-chlorophenoxy)benzoic acid
CID 62946411
2-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465
4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid
CID 56607371
2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid
CID 174895889
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-phenylphenoxy)benzoic acid?
The IUPAC name of 2-amino-4-(2-phenylphenoxy)benzoic acid (CID 175030921) is 2-amino-4-(2-phenylphenoxy)benzoic acid.
What is the SMILES notation for 2-amino-4-(2-phenylphenoxy)benzoic acid?
The canonical SMILES for 2-amino-4-(2-phenylphenoxy)benzoic acid is Nc1cc(Oc2ccccc2-c2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-amino-4-(2-phenylphenoxy)benzoic acid?
The InChIKey is ZSXFQZLPNOFGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c20-17-12-14(10-11-16(17)19(21)22)23-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H,20H2,(H,21,22).
What are the key properties of 2-amino-4-(2-phenylphenoxy)benzoic acid?
2-amino-4-(2-phenylphenoxy)benzoic acid has a molecular weight of 305.33 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-phenylphenoxy)benzoic acid is sourced from PubChem (CID 175030921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).