[2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate

C20H14O8 — CID 59350326

IUPAC[2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
SMILESO=C(Oc1ccccc1OC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1
InChIInChI=1S/C20H14O8/c21-13-7-5-11(9-15(13)23)19(25)27-17-3-1-2-4-18(17)28-20(26)12-6-8-14(22)16(24)10-12/h1-10,21-24H
InChIKeyYEZSMURHRUWUQE-UHFFFAOYSA-N
MW382.32 g/mol
LogP2.95
Rot. Bonds4

About [2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate

[2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate (PubChem CID 59350326) has the molecular formula C20H14O8 and a molecular weight of 382.32 g/mol. Its IUPAC name is [2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
PubChem CID59350326
Molecular FormulaC20H14O8
Molecular Weight382.32 g/mol
Exact Mass382.07
IUPAC Name[2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
SMILESO=C(Oc1ccccc1OC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1
InChIInChI=1S/C20H14O8/c21-13-7-5-11(9-15(13)23)19(25)27-17-3-1-2-4-18(17)28-20(26)12-6-8-14(22)16(24)10-12/h1-10,21-24H
InChIKeyYEZSMURHRUWUQE-UHFFFAOYSA-N
XLogP2.95
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate 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-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
CID 59350341
(2,3,4,5,6-pentahydroxyphenyl) 3,4-dihydroxybenzoate
CID 87490994
[1,10-bis[(3,4-dihydroxybenzoyl)oxy]anthracen-2-yl] 3,4-dihydroxybenzoate
CID 22903186
amino 3,4-dihydroxybenzoate
CID 91429810
(2-hydroxyphenyl) 4-fluorobenzoate
CID 91711747
(2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate
CID 59397478
(2-hydroxyphenyl) 3-chlorobenzoate
CID 4525221
(2-oxo-1,2-diphenylethyl) 3,4-dihydroxybenzoate
CID 23738197
benzene;3,4-dihydroxybenzoic acid
CID 175073097
(5-amino-2-hydroxyphenyl) benzoate
CID 12648522
(2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate
CID 57166754
[4-(2-methylprop-2-enoyloxy)phenyl] 3,4-dihydroxybenzoate
CID 156522744

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate?
The IUPAC name of [2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate (CID 59350326) is [2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate.
What is the SMILES notation for [2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate?
The canonical SMILES for [2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate is O=C(Oc1ccccc1OC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1.
What is the InChIKey of [2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate?
The InChIKey is YEZSMURHRUWUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O8/c21-13-7-5-11(9-15(13)23)19(25)27-17-3-1-2-4-18(17)28-20(26)12-6-8-14(22)16(24)10-12/h1-10,21-24H.
What are the key properties of [2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate?
[2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate has a molecular weight of 382.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate is sourced from PubChem (CID 59350326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).