hydroperoxymethane;2-methylphenol

C8H12O3 — CID 87131667

IUPAChydroperoxymethane;2-methylphenol
SMILESCOO.Cc1ccccc1O
InChIInChI=1S/C7H8O.CH4O2/c1-6-4-2-3-5-7(6)8;1-3-2/h2-5,8H,1H3;2H,1H3
InChIKeySESUKTQUHMRTKJ-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.81
Rot. Bonds

About hydroperoxymethane;2-methylphenol

hydroperoxymethane;2-methylphenol (PubChem CID 87131667) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is hydroperoxymethane;2-methylphenol.

Molecular Properties

Compound Namehydroperoxymethane;2-methylphenol
PubChem CID87131667
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namehydroperoxymethane;2-methylphenol
SMILESCOO.Cc1ccccc1O
InChIInChI=1S/C7H8O.CH4O2/c1-6-4-2-3-5-7(6)8;1-3-2/h2-5,8H,1H3;2H,1H3
InChIKeySESUKTQUHMRTKJ-UHFFFAOYSA-N
XLogP1.81
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

hydrazine;2-methylphenol
CID 174667823
ethane;2-methylphenol
CID 54326461
zinc 2-methylphenol
CID 10374903
methanamine;2-methylphenol
CID 19359053
anisole;2-methylphenol
CID 159950071
cyclohexane;2-methylphenol
CID 70504255
1,2-dichlorobenzene;2-methylphenol
CID 159780398
2,3-dimethylphenol;bis(2-methylphenol)
CID 67655814
ethanol;bis(2-methylphenol);titanium
CID 22238726
2-methylphenol;bis(4-methylphenol)
CID 160575641
2-methylphenol;thiophene
CID 158862587
bicyclo[2.2.0]hexane;2-methylphenol
CID 70270584

Frequently Asked Questions

What is the IUPAC name of hydroperoxymethane;2-methylphenol?
The IUPAC name of hydroperoxymethane;2-methylphenol (CID 87131667) is hydroperoxymethane;2-methylphenol.
What is the SMILES notation for hydroperoxymethane;2-methylphenol?
The canonical SMILES for hydroperoxymethane;2-methylphenol is COO.Cc1ccccc1O.
What is the InChIKey of hydroperoxymethane;2-methylphenol?
The InChIKey is SESUKTQUHMRTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.CH4O2/c1-6-4-2-3-5-7(6)8;1-3-2/h2-5,8H,1H3;2H,1H3.
What are the key properties of hydroperoxymethane;2-methylphenol?
hydroperoxymethane;2-methylphenol has a molecular weight of 156.18 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxymethane;2-methylphenol is sourced from PubChem (CID 87131667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).