3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid

C18H12O6 — CID 68737174

IUPAC3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid
SMILESO=C(O)c1cc(O)cc(OC(=O)c2cc3ccccc3cc2O)c1
InChIInChI=1S/C18H12O6/c19-13-5-12(17(21)22)6-14(9-13)24-18(23)15-7-10-3-1-2-4-11(10)8-16(15)20/h1-9,19-20H,(H,21,22)
InChIKeyDZVPHHDWDULGFK-UHFFFAOYSA-N
MW324.29 g/mol
LogP3.17
Rot. Bonds3

About 3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid

3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid (PubChem CID 68737174) has the molecular formula C18H12O6 and a molecular weight of 324.29 g/mol. Its IUPAC name is 3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid.

Molecular Properties

Compound Name3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid
PubChem CID68737174
Molecular FormulaC18H12O6
Molecular Weight324.29 g/mol
Exact Mass324.06
IUPAC Name3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid
SMILESO=C(O)c1cc(O)cc(OC(=O)c2cc3ccccc3cc2O)c1
InChIInChI=1S/C18H12O6/c19-13-5-12(17(21)22)6-14(9-13)24-18(23)15-7-10-3-1-2-4-11(10)8-16(15)20/h1-9,19-20H,(H,21,22)
InChIKeyDZVPHHDWDULGFK-UHFFFAOYSA-N
XLogP3.17
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid?
The IUPAC name of 3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid (CID 68737174) is 3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid.
What is the SMILES notation for 3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid?
The canonical SMILES for 3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid is O=C(O)c1cc(O)cc(OC(=O)c2cc3ccccc3cc2O)c1.
What is the InChIKey of 3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid?
The InChIKey is DZVPHHDWDULGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O6/c19-13-5-12(17(21)22)6-14(9-13)24-18(23)15-7-10-3-1-2-4-11(10)8-16(15)20/h1-9,19-20H,(H,21,22).
What are the key properties of 3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid?
3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid has a molecular weight of 324.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid is sourced from PubChem (CID 68737174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).