(2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate

C14H10O8 — CID 151078353

IUPAC(2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate
SMILESO=C(OOC(=O)c1cccc(O)c1O)c1cccc(O)c1O
InChIInChI=1S/C14H10O8/c15-9-5-1-3-7(11(9)17)13(19)21-22-14(20)8-4-2-6-10(16)12(8)18/h1-6,15-18H
InChIKeyMJPALGBLHLHGRA-UHFFFAOYSA-N
MW306.23 g/mol
LogP1.44
Rot. Bonds2

About (2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate

(2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate (PubChem CID 151078353) has the molecular formula C14H10O8 and a molecular weight of 306.23 g/mol. Its IUPAC name is (2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate.

Molecular Properties

Compound Name(2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate
PubChem CID151078353
Molecular FormulaC14H10O8
Molecular Weight306.23 g/mol
Exact Mass306.04
IUPAC Name(2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate
SMILESO=C(OOC(=O)c1cccc(O)c1O)c1cccc(O)c1O
InChIInChI=1S/C14H10O8/c15-9-5-1-3-7(11(9)17)13(19)21-22-14(20)8-4-2-6-10(16)12(8)18/h1-6,15-18H
InChIKeyMJPALGBLHLHGRA-UHFFFAOYSA-N
XLogP1.44
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 51.44
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate
CID 141348519
2,3-dihydroxybenzoyl bromide
CID 141115203
(2-methylphenyl) 2,3-dihydroxybenzoate
CID 69026633
pentadecyl 2,3-dihydroxybenzoate
CID 154094059
hexadecyl 2,3-dihydroxybenzoate
CID 14177662
2-amino-1-(2,3-dihydroxyphenyl)ethanone
CID 89392484
[(2E,4E)-hexa-2,4-dienyl] 2,3-dihydroxybenzoate
CID 132581641
2,3-dihydroxy-N-methoxy-N-methylbenzamide
CID 114344880
(2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 14094133
benzene-1,2,3-triol
CID 87074018
2,3-dihydroxy-N-methylbenzohydrazide
CID 142945868
1-(2,3-dihydroxyphenyl)butan-1-one
CID 23094385

Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate?
The IUPAC name of (2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate (CID 151078353) is (2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate.
What is the SMILES notation for (2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate?
The canonical SMILES for (2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate is O=C(OOC(=O)c1cccc(O)c1O)c1cccc(O)c1O.
What is the InChIKey of (2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate?
The InChIKey is MJPALGBLHLHGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O8/c15-9-5-1-3-7(11(9)17)13(19)21-22-14(20)8-4-2-6-10(16)12(8)18/h1-6,15-18H.
What are the key properties of (2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate?
(2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate has a molecular weight of 306.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate is sourced from PubChem (CID 151078353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).