methylperoxy(phenyl)methanol

C8H10O3 — CID 89191704

IUPACmethylperoxy(phenyl)methanol
SMILESCOOC(O)c1ccccc1
InChIInChI=1S/C8H10O3/c1-10-11-8(9)7-5-3-2-4-6-7/h2-6,8-9H,1H3
InChIKeyQEVJMUATCINTPQ-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.26
Rot. Bonds3

About methylperoxy(phenyl)methanol

methylperoxy(phenyl)methanol (PubChem CID 89191704) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is methylperoxy(phenyl)methanol.

Molecular Properties

Compound Namemethylperoxy(phenyl)methanol
PubChem CID89191704
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namemethylperoxy(phenyl)methanol
SMILESCOOC(O)c1ccccc1
InChIInChI=1S/C8H10O3/c1-10-11-8(9)7-5-3-2-4-6-7/h2-6,8-9H,1H3
InChIKeyQEVJMUATCINTPQ-UHFFFAOYSA-N
XLogP1.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 methylperoxy(phenyl)methanol?
The IUPAC name of methylperoxy(phenyl)methanol (CID 89191704) is methylperoxy(phenyl)methanol.
What is the SMILES notation for methylperoxy(phenyl)methanol?
The canonical SMILES for methylperoxy(phenyl)methanol is COOC(O)c1ccccc1.
What is the InChIKey of methylperoxy(phenyl)methanol?
The InChIKey is QEVJMUATCINTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-10-11-8(9)7-5-3-2-4-6-7/h2-6,8-9H,1H3.
What are the key properties of methylperoxy(phenyl)methanol?
methylperoxy(phenyl)methanol has a molecular weight of 154.16 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylperoxy(phenyl)methanol is sourced from PubChem (CID 89191704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).