(2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate

C15H10O9 — CID 141348519

IUPAC(2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate
SMILESO=C(OOC(=O)c1ccccc1O)OOC(=O)c1ccccc1O
InChIInChI=1S/C15H10O9/c16-11-7-3-1-5-9(11)13(18)21-23-15(20)24-22-14(19)10-6-2-4-8-12(10)17/h1-8,16-17H
InChIKeyMXOXMHDJRSZGRJ-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.09
Rot. Bonds2

About (2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate

(2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate (PubChem CID 141348519) has the molecular formula C15H10O9 and a molecular weight of 334.24 g/mol. Its IUPAC name is (2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate.

Molecular Properties

Compound Name(2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate
PubChem CID141348519
Molecular FormulaC15H10O9
Molecular Weight334.24 g/mol
Exact Mass334.03
IUPAC Name(2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate
SMILESO=C(OOC(=O)c1ccccc1O)OOC(=O)c1ccccc1O
InChIInChI=1S/C15H10O9/c16-11-7-3-1-5-9(11)13(18)21-23-15(20)24-22-14(19)10-6-2-4-8-12(10)17/h1-8,16-17H
InChIKeyMXOXMHDJRSZGRJ-UHFFFAOYSA-N
XLogP2.09
TPSA128.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

iodomethyl 2-hydroxybenzenecarboperoxoate
CID 158310141
amino 2-hydroxybenzoate
CID 12598418
(2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate
CID 151078353
dihydroxyphosphanyl 2-hydroxybenzoate
CID 141059602
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
2-chloroethyl 2-hydroxybenzoate
CID 13052757
1,3-dihydroxypropan-2-yl 2-hydroxybenzoate
CID 23654554
[(2S)-2-aminopropanoyl] 2-hydroxybenzoate
CID 151967003
2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate
CID 154331756
Dimethylsilyl salicylate
CID 22616670
methyl 2-hydroxybenzoate;urea
CID 174888687

Frequently Asked Questions

What is the IUPAC name of (2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate?
The IUPAC name of (2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate (CID 141348519) is (2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate.
What is the SMILES notation for (2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate?
The canonical SMILES for (2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate is O=C(OOC(=O)c1ccccc1O)OOC(=O)c1ccccc1O.
What is the InChIKey of (2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate?
The InChIKey is MXOXMHDJRSZGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O9/c16-11-7-3-1-5-9(11)13(18)21-23-15(20)24-22-14(19)10-6-2-4-8-12(10)17/h1-8,16-17H.
What are the key properties of (2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate?
(2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate has a molecular weight of 334.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate is sourced from PubChem (CID 141348519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).