2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid

C14H10O7 — CID 54530363

IUPAC2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid
SMILESO=C(Oc1cc(O)ccc1C(=O)O)c1ccc(O)cc1O
InChIInChI=1S/C14H10O7/c15-7-1-3-9(11(17)5-7)14(20)21-12-6-8(16)2-4-10(12)13(18)19/h1-6,15-17H,(H,18,19)
InChIKeyYWCBREOBHKNYIW-UHFFFAOYSA-N
MW290.23 g/mol
LogP1.72
Rot. Bonds3

About 2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid

2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid (PubChem CID 54530363) has the molecular formula C14H10O7 and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid
PubChem CID54530363
Molecular FormulaC14H10O7
Molecular Weight290.23 g/mol
Exact Mass290.04
IUPAC Name2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid
SMILESO=C(Oc1cc(O)ccc1C(=O)O)c1ccc(O)cc1O
InChIInChI=1S/C14H10O7/c15-7-1-3-9(11(17)5-7)14(20)21-12-6-8(16)2-4-10(12)13(18)19/h1-6,15-17H,(H,18,19)
InChIKeyYWCBREOBHKNYIW-UHFFFAOYSA-N
XLogP1.72
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid
CID 54364627
2,4-dihydroxybenzoic acid
CID 1491
3-(3,7-dihydroxynaphthalene-2-carbonyl)oxy-7-hydroxynaphthalene-2-carboxylic acid
CID 123164548
(2,4-dihydroxyphenyl) 2-hydroxybenzoate
CID 69048208
5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid
CID 57113507
4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid
CID 57080181
3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid
CID 54032233
2-butoxy-4-hydroxybenzoic acid
CID 70316659
3,7-dihydroxynaphthalene-2-carboxylic acid
CID 158168218
(4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate
CID 21396971
4-hydroxy-2-prop-2-ynoxybenzoic acid
CID 156621026
2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate
CID 139593761

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid?
The IUPAC name of 2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid (CID 54530363) is 2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid.
What is the SMILES notation for 2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid?
The canonical SMILES for 2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid is O=C(Oc1cc(O)ccc1C(=O)O)c1ccc(O)cc1O.
What is the InChIKey of 2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid?
The InChIKey is YWCBREOBHKNYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O7/c15-7-1-3-9(11(17)5-7)14(20)21-12-6-8(16)2-4-10(12)13(18)19/h1-6,15-17H,(H,18,19).
What are the key properties of 2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid?
2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid has a molecular weight of 290.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid is sourced from PubChem (CID 54530363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).