iodomethyl 2-hydroxybenzenecarboperoxoate

C8H7IO4 — CID 158310141

IUPACiodomethyl 2-hydroxybenzenecarboperoxoate
SMILESO=C(OOCI)c1ccccc1O
InChIInChI=1S/C8H7IO4/c9-5-12-13-8(11)6-3-1-2-4-7(6)10/h1-4,10H,5H2
InChIKeySJCAIVSLCZMTAQ-UHFFFAOYSA-N
MW294.04 g/mol
LogP1.87
Rot. Bonds3

About iodomethyl 2-hydroxybenzenecarboperoxoate

iodomethyl 2-hydroxybenzenecarboperoxoate (PubChem CID 158310141) has the molecular formula C8H7IO4 and a molecular weight of 294.04 g/mol. Its IUPAC name is iodomethyl 2-hydroxybenzenecarboperoxoate.

Molecular Properties

Compound Nameiodomethyl 2-hydroxybenzenecarboperoxoate
PubChem CID158310141
Molecular FormulaC8H7IO4
Molecular Weight294.04 g/mol
Exact Mass293.94
IUPAC Nameiodomethyl 2-hydroxybenzenecarboperoxoate
SMILESO=C(OOCI)c1ccccc1O
InChIInChI=1S/C8H7IO4/c9-5-12-13-8(11)6-3-1-2-4-7(6)10/h1-4,10H,5H2
InChIKeySJCAIVSLCZMTAQ-UHFFFAOYSA-N
XLogP1.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodomethyl 2-hydroxybenzenecarboperoxoate?
The IUPAC name of iodomethyl 2-hydroxybenzenecarboperoxoate (CID 158310141) is iodomethyl 2-hydroxybenzenecarboperoxoate.
What is the SMILES notation for iodomethyl 2-hydroxybenzenecarboperoxoate?
The canonical SMILES for iodomethyl 2-hydroxybenzenecarboperoxoate is O=C(OOCI)c1ccccc1O.
What is the InChIKey of iodomethyl 2-hydroxybenzenecarboperoxoate?
The InChIKey is SJCAIVSLCZMTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IO4/c9-5-12-13-8(11)6-3-1-2-4-7(6)10/h1-4,10H,5H2.
What are the key properties of iodomethyl 2-hydroxybenzenecarboperoxoate?
iodomethyl 2-hydroxybenzenecarboperoxoate has a molecular weight of 294.04 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethyl 2-hydroxybenzenecarboperoxoate is sourced from PubChem (CID 158310141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).