2-methylperoxyphenol

C7H8O3 — CID 18702042

IUPAC2-methylperoxyphenol
SMILESCOOc1ccccc1O
InChIInChI=1S/C7H8O3/c1-9-10-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKeyCWDFAWQMQXOHPJ-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.33
Rot. Bonds2

About 2-methylperoxyphenol

2-methylperoxyphenol (PubChem CID 18702042) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-methylperoxyphenol.

Molecular Properties

Compound Name2-methylperoxyphenol
PubChem CID18702042
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name2-methylperoxyphenol
SMILESCOOc1ccccc1O
InChIInChI=1S/C7H8O3/c1-9-10-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKeyCWDFAWQMQXOHPJ-UHFFFAOYSA-N
XLogP1.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylperoxyphenol 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

ethene;2-(2-hydroxyphenyl)peroxyphenol
CID 163415506
azane;2-methoxyphenol
CID 172717837
ethanol;2-(trioxidanyl)phenol
CID 173403198
3-methylperoxynaphthalen-2-ol
CID 88579478
methanethiol;2-methoxyphenol
CID 141484211
2-methoxyphenol;molecular bromine
CID 141484212
formonitrile;2-methoxyphenol
CID 161059546
dichlorotitanium;bis(2-methoxyphenol)
CID 164736686
2-(2-hydroxyphenoxy)phenol;phosphane
CID 174791785
CID 174763347
CID 174763347
2-methoxyphenol;oxalic acid
CID 162319729
methanesulfonic acid;2-methoxyphenol
CID 71332079

Frequently Asked Questions

What is the IUPAC name of 2-methylperoxyphenol?
The IUPAC name of 2-methylperoxyphenol (CID 18702042) is 2-methylperoxyphenol.
What is the SMILES notation for 2-methylperoxyphenol?
The canonical SMILES for 2-methylperoxyphenol is COOc1ccccc1O.
What is the InChIKey of 2-methylperoxyphenol?
The InChIKey is CWDFAWQMQXOHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-9-10-7-5-3-2-4-6(7)8/h2-5,8H,1H3.
What are the key properties of 2-methylperoxyphenol?
2-methylperoxyphenol has a molecular weight of 140.14 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylperoxyphenol is sourced from PubChem (CID 18702042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).