3-(4-aminophenyl)phthalic acid

C14H11NO4 — CID 150193527

IUPAC3-(4-aminophenyl)phthalic acid
SMILESNc1ccc(-c2cccc(C(=O)O)c2C(=O)O)cc1
InChIInChI=1S/C14H11NO4/c15-9-6-4-8(5-7-9)10-2-1-3-11(13(16)17)12(10)14(18)19/h1-7H,15H2,(H,16,17)(H,18,19)
InChIKeyFNYJWOCCODAQBY-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.33
Rot. Bonds3

About 3-(4-aminophenyl)phthalic acid

3-(4-aminophenyl)phthalic acid (PubChem CID 150193527) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-(4-aminophenyl)phthalic acid.

Molecular Properties

Compound Name3-(4-aminophenyl)phthalic acid
PubChem CID150193527
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name3-(4-aminophenyl)phthalic acid
SMILESNc1ccc(-c2cccc(C(=O)O)c2C(=O)O)cc1
InChIInChI=1S/C14H11NO4/c15-9-6-4-8(5-7-9)10-2-1-3-11(13(16)17)12(10)14(18)19/h1-7H,15H2,(H,16,17)(H,18,19)
InChIKeyFNYJWOCCODAQBY-UHFFFAOYSA-N
XLogP2.33
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-6-carbamoylbenzoic acid
CID 158760477
3-(4-hydroxyphenyl)phthalic acid
CID 45486596
3-phenylphthalic acid;dihydrobromide
CID 67683459
anthracene;3-phenylphthalic acid
CID 161382372
4-(4-carboxybenzoyl)benzoic acid;3-phenylphthalic acid
CID 175394432
3-[4-[9-[4-(2,3-dicarboxyphenyl)phenyl]fluoren-9-yl]phenyl]phthalic acid
CID 174656697
3-phenyl-2-sulfanylcarbonylbenzoic acid
CID 88677221
2H-benzotriazole;3-phenylphthalic acid
CID 175494316
2-benzoyl-6-phenylbenzoic acid
CID 174388121
3-amino-2-(2-phenylbenzoyl)benzoic acid
CID 70111879
hexan-1-ol;3-phenylphthalic acid
CID 175451457
2-carbamoyl-3-phenylbenzoic acid;ethanamine
CID 175433924

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)phthalic acid?
The IUPAC name of 3-(4-aminophenyl)phthalic acid (CID 150193527) is 3-(4-aminophenyl)phthalic acid.
What is the SMILES notation for 3-(4-aminophenyl)phthalic acid?
The canonical SMILES for 3-(4-aminophenyl)phthalic acid is Nc1ccc(-c2cccc(C(=O)O)c2C(=O)O)cc1.
What is the InChIKey of 3-(4-aminophenyl)phthalic acid?
The InChIKey is FNYJWOCCODAQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c15-9-6-4-8(5-7-9)10-2-1-3-11(13(16)17)12(10)14(18)19/h1-7H,15H2,(H,16,17)(H,18,19).
What are the key properties of 3-(4-aminophenyl)phthalic acid?
3-(4-aminophenyl)phthalic acid has a molecular weight of 257.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)phthalic acid is sourced from PubChem (CID 150193527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).