5-amino-2-naphthalen-1-yloxybenzoic acid

C17H13NO3 — CID 60987249

IUPAC5-amino-2-naphthalen-1-yloxybenzoic acid
SMILESNc1ccc(Oc2cccc3ccccc23)c(C(=O)O)c1
InChIInChI=1S/C17H13NO3/c18-12-8-9-16(14(10-12)17(19)20)21-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,18H2,(H,19,20)
InChIKeyDYKLMBJEYGFYIO-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.91
Rot. Bonds3

About 5-amino-2-naphthalen-1-yloxybenzoic acid

5-amino-2-naphthalen-1-yloxybenzoic acid (PubChem CID 60987249) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-amino-2-naphthalen-1-yloxybenzoic acid.

Molecular Properties

Compound Name5-amino-2-naphthalen-1-yloxybenzoic acid
PubChem CID60987249
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name5-amino-2-naphthalen-1-yloxybenzoic acid
SMILESNc1ccc(Oc2cccc3ccccc23)c(C(=O)O)c1
InChIInChI=1S/C17H13NO3/c18-12-8-9-16(14(10-12)17(19)20)21-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,18H2,(H,19,20)
InChIKeyDYKLMBJEYGFYIO-UHFFFAOYSA-N
XLogP3.91
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-naphthalen-1-yloxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 60986559
5-amino-2-[4-(4-amino-2-carboxyphenoxy)phenoxy]benzoic acid
CID 139816343
4-naphthalen-1-yloxyphthalic acid
CID 174697498
2-bromo-4-naphthalen-1-yloxybenzoic acid
CID 107282441
5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide
CID 63652229
3-amino-4-naphthalen-1-yloxybenzamide
CID 43448527
5-amino-2-(3-methylphenoxy)benzoic acid
CID 54887826
5-amino-2-(3-ethoxyphenoxy)benzoic acid
CID 62338276
2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426
5-amino-2-(2,4-dichlorophenoxy)benzoic acid
CID 54888100
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167
5-amino-2-[2-(4-amino-2-carboxyphenyl)-3-[2,3-bis(4-amino-2-carboxyphenyl)phenoxy]phenyl]benzoic acid
CID 141406920

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-naphthalen-1-yloxybenzoic acid?
The IUPAC name of 5-amino-2-naphthalen-1-yloxybenzoic acid (CID 60987249) is 5-amino-2-naphthalen-1-yloxybenzoic acid.
What is the SMILES notation for 5-amino-2-naphthalen-1-yloxybenzoic acid?
The canonical SMILES for 5-amino-2-naphthalen-1-yloxybenzoic acid is Nc1ccc(Oc2cccc3ccccc23)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-naphthalen-1-yloxybenzoic acid?
The InChIKey is DYKLMBJEYGFYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c18-12-8-9-16(14(10-12)17(19)20)21-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,18H2,(H,19,20).
What are the key properties of 5-amino-2-naphthalen-1-yloxybenzoic acid?
5-amino-2-naphthalen-1-yloxybenzoic acid has a molecular weight of 279.30 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-naphthalen-1-yloxybenzoic acid is sourced from PubChem (CID 60987249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).