5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid

C16H10O7 — CID 91383282

IUPAC5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid
SMILESO=Cc1ccc(O)c(C(=O)Oc2ccc(C=O)cc2C(=O)O)c1
InChIInChI=1S/C16H10O7/c17-7-9-1-3-13(19)11(5-9)16(22)23-14-4-2-10(8-18)6-12(14)15(20)21/h1-8,19H,(H,20,21)
InChIKeyIKQSZTZNNNVUKK-UHFFFAOYSA-N
MW314.25 g/mol
LogP1.93
Rot. Bonds5

About 5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid

5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid (PubChem CID 91383282) has the molecular formula C16H10O7 and a molecular weight of 314.25 g/mol. Its IUPAC name is 5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid.

Molecular Properties

Compound Name5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid
PubChem CID91383282
Molecular FormulaC16H10O7
Molecular Weight314.25 g/mol
Exact Mass314.04
IUPAC Name5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid
SMILESO=Cc1ccc(O)c(C(=O)Oc2ccc(C=O)cc2C(=O)O)c1
InChIInChI=1S/C16H10O7/c17-7-9-1-3-13(19)11(5-9)16(22)23-14-4-2-10(8-18)6-12(14)15(20)21/h1-8,19H,(H,20,21)
InChIKeyIKQSZTZNNNVUKK-UHFFFAOYSA-N
XLogP1.93
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic 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

2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid
CID 54253001
5-formyl-2-phenylmethoxybenzoic acid
CID 969870
3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid
CID 54032233
3-(3,7-dihydroxynaphthalene-2-carbonyl)oxy-7-hydroxynaphthalene-2-carboxylic acid
CID 123164548
5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid
CID 57113507
2,4-diformylbenzoic acid
CID 22491758
(4-formyl-2-methoxyphenyl) 3,4,5-trihydroxybenzoate
CID 175007012
4-hydroxy-3-methylperoxybenzaldehyde
CID 131965744
4-(4-carboxybenzoyl)oxybenzene-1,3-dicarboxylic acid
CID 70551484
4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid
CID 157275150
(2,4-diformylphenyl) 4-formylbenzoate
CID 130308399
(4-formylphenyl) 2,5-diacetyloxybenzoate
CID 11624300

Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid?
The IUPAC name of 5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid (CID 91383282) is 5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid.
What is the SMILES notation for 5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid?
The canonical SMILES for 5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid is O=Cc1ccc(O)c(C(=O)Oc2ccc(C=O)cc2C(=O)O)c1.
What is the InChIKey of 5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid?
The InChIKey is IKQSZTZNNNVUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O7/c17-7-9-1-3-13(19)11(5-9)16(22)23-14-4-2-10(8-18)6-12(14)15(20)21/h1-8,19H,(H,20,21).
What are the key properties of 5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid?
5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid has a molecular weight of 314.25 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid is sourced from PubChem (CID 91383282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).