3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid

C22H14O5 — CID 54032233

IUPAC3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid
SMILESO=C(Oc1cc2ccccc2cc1C(=O)O)c1cc2ccccc2cc1O
InChIInChI=1S/C22H14O5/c23-19-11-15-7-3-1-5-13(15)9-17(19)22(26)27-20-12-16-8-4-2-6-14(16)10-18(20)21(24)25/h1-12,23H,(H,24,25)
InChIKeyLGKHATBHBCTYPD-UHFFFAOYSA-N
MW358.35 g/mol
LogP4.62
Rot. Bonds3

About 3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid

3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid (PubChem CID 54032233) has the molecular formula C22H14O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid
PubChem CID54032233
Molecular FormulaC22H14O5
Molecular Weight358.35 g/mol
Exact Mass358.08
IUPAC Name3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid
SMILESO=C(Oc1cc2ccccc2cc1C(=O)O)c1cc2ccccc2cc1O
InChIInChI=1S/C22H14O5/c23-19-11-15-7-3-1-5-13(15)9-17(19)22(26)27-20-12-16-8-4-2-6-14(16)10-18(20)21(24)25/h1-12,23H,(H,24,25)
InChIKeyLGKHATBHBCTYPD-UHFFFAOYSA-N
XLogP4.62
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic 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

3-(3,7-dihydroxynaphthalene-2-carbonyl)oxy-7-hydroxynaphthalene-2-carboxylic acid
CID 123164548
3-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid
CID 57144656
3-(2-hydroxynaphthalene-1-carbonyl)oxynaphthalene-2-carboxylic acid
CID 57176431
CID 69256301
CID 69256301
3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid
CID 68737174
3-(3-chlorobenzoyl)oxynaphthalene-2-carboxylic acid
CID 2818675
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
5-amino-2-(4-hydroxyanthracene-1-carbonyl)oxybenzoic acid
CID 57046044
CID 59952147
CID 59952147
2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid
CID 54530363
3-[3-[3-[3-(3-carboxynaphthalen-2-yl)oxypropoxy]naphthalen-2-yl]oxypropoxy]naphthalene-2-carboxylic acid
CID 67635252
3-aminonaphthalene-2-carboxylic acid;2-aminophenol
CID 70253248

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid?
The IUPAC name of 3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid (CID 54032233) is 3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid?
The canonical SMILES for 3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid is O=C(Oc1cc2ccccc2cc1C(=O)O)c1cc2ccccc2cc1O.
What is the InChIKey of 3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid?
The InChIKey is LGKHATBHBCTYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O5/c23-19-11-15-7-3-1-5-13(15)9-17(19)22(26)27-20-12-16-8-4-2-6-14(16)10-18(20)21(24)25/h1-12,23H,(H,24,25).
What are the key properties of 3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid?
3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid has a molecular weight of 358.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 54032233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).