4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid

C18H12O5 — CID 57085233

IUPAC4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid
SMILESO=C(O)c1ccc(OC(=O)c2cccc3cc(O)ccc23)cc1
InChIInChI=1S/C18H12O5/c19-13-6-9-15-12(10-13)2-1-3-16(15)18(22)23-14-7-4-11(5-8-14)17(20)21/h1-10,19H,(H,20,21)
InChIKeyAQWSIPLULBKTGZ-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.46
Rot. Bonds3

About 4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid

4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid (PubChem CID 57085233) has the molecular formula C18H12O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is 4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid.

Molecular Properties

Compound Name4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid
PubChem CID57085233
Molecular FormulaC18H12O5
Molecular Weight308.29 g/mol
Exact Mass308.07
IUPAC Name4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid
SMILESO=C(O)c1ccc(OC(=O)c2cccc3cc(O)ccc23)cc1
InChIInChI=1S/C18H12O5/c19-13-6-9-15-12(10-13)2-1-3-16(15)18(22)23-14-7-4-11(5-8-14)17(20)21/h1-10,19H,(H,20,21)
InChIKeyAQWSIPLULBKTGZ-UHFFFAOYSA-N
XLogP3.46
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diphenyl naphthalene-1,6-dicarboxylate
CID 66591582
4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid
CID 23202389
ethane-1,2-diol;4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;terephthalic acid
CID 90113672
4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;4-[4-(4-hydroxyphenyl)phenoxy]carbonylbenzoic acid
CID 69304710
phenyl 6-hydroxynaphthalene-2-carboxylate
CID 18762076
benzene-1,3-diol;diphenyl benzene-1,2-dicarboxylate
CID 174808310
4-(2-fluorobenzoyl)oxybenzoic acid
CID 54854449
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
naphthalene-2-carboxylic acid;naphthalen-2-ol
CID 161405760
phenyl 2,6-dihydroxynaphthalene-1-carboxylate
CID 167313842
4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid
CID 67898543
(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
CID 70557557

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid?
The IUPAC name of 4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid (CID 57085233) is 4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid.
What is the SMILES notation for 4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid?
The canonical SMILES for 4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid is O=C(O)c1ccc(OC(=O)c2cccc3cc(O)ccc23)cc1.
What is the InChIKey of 4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid?
The InChIKey is AQWSIPLULBKTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O5/c19-13-6-9-15-12(10-13)2-1-3-16(15)18(22)23-14-7-4-11(5-8-14)17(20)21/h1-10,19H,(H,20,21).
What are the key properties of 4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid?
4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid has a molecular weight of 308.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid is sourced from PubChem (CID 57085233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).