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

C20H14O8 — CID 59350341

IUPAC[3-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
SMILESO=C(Oc1cccc(OC(=O)c2ccc(O)c(O)c2)c1)c1ccc(O)c(O)c1
InChIInChI=1S/C20H14O8/c21-15-6-4-11(8-17(15)23)19(25)27-13-2-1-3-14(10-13)28-20(26)12-5-7-16(22)18(24)9-12/h1-10,21-24H
InChIKeyVTQTWJLMLIULKJ-UHFFFAOYSA-N
MW382.32 g/mol
LogP2.95
Rot. Bonds4

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

[3-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate (PubChem CID 59350341) has the molecular formula C20H14O8 and a molecular weight of 382.32 g/mol. Its IUPAC name is [3-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate.

Molecular Properties

Compound Name[3-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
PubChem CID59350341
Molecular FormulaC20H14O8
Molecular Weight382.32 g/mol
Exact Mass382.07
IUPAC Name[3-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
SMILESO=C(Oc1cccc(OC(=O)c2ccc(O)c(O)c2)c1)c1ccc(O)c(O)c1
InChIInChI=1S/C20H14O8/c21-15-6-4-11(8-17(15)23)19(25)27-13-2-1-3-14(10-13)28-20(26)12-5-7-16(22)18(24)9-12/h1-10,21-24H
InChIKeyVTQTWJLMLIULKJ-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 [3-(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

[2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
CID 59350326
(3,4-dihydroxyphenyl) 3-methylbenzoate
CID 139941776
[5-[5-[3-[3-[3-[3-[3-[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate
CID 159531570
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
(2,3,4,5,6-pentahydroxyphenyl) 3,4-dihydroxybenzoate
CID 87490994
[3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate
CID 6612290
phenyl 4-amino-3-hydroxybenzoate
CID 141431742
phenyl 3-amino-4-hydroxybenzoate
CID 154120307
[4-(2-methylprop-2-enoyloxy)phenyl] 3,4-dihydroxybenzoate
CID 156522744
diazanium;3-[3-(3-carboxylatobenzoyl)oxyphenoxy]carbonylbenzoate
CID 23310708
(3-chlorophenyl) 3,4,5-trihydroxybenzoate
CID 88595944
amino 3,4-dihydroxybenzoate
CID 91429810

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate?
The IUPAC name of [3-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate (CID 59350341) is [3-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate.
What is the SMILES notation for [3-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate?
The canonical SMILES for [3-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate is O=C(Oc1cccc(OC(=O)c2ccc(O)c(O)c2)c1)c1ccc(O)c(O)c1.
What is the InChIKey of [3-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate?
The InChIKey is VTQTWJLMLIULKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O8/c21-15-6-4-11(8-17(15)23)19(25)27-13-2-1-3-14(10-13)28-20(26)12-5-7-16(22)18(24)9-12/h1-10,21-24H.
What are the key properties of [3-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate?
[3-(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 [3-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate is sourced from PubChem (CID 59350341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).