2-methylperoxybenzaldehyde

C8H8O3 — CID 23505479

IUPAC2-methylperoxybenzaldehyde
SMILESCOOc1ccccc1C=O
InChIInChI=1S/C8H8O3/c1-10-11-8-5-3-2-4-7(8)6-9/h2-6H,1H3
InChIKeyONAOBFWXMNPKEQ-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.44
Rot. Bonds3

About 2-methylperoxybenzaldehyde

2-methylperoxybenzaldehyde (PubChem CID 23505479) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-methylperoxybenzaldehyde.

Molecular Properties

Compound Name2-methylperoxybenzaldehyde
PubChem CID23505479
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name2-methylperoxybenzaldehyde
SMILESCOOc1ccccc1C=O
InChIInChI=1S/C8H8O3/c1-10-11-8-5-3-2-4-7(8)6-9/h2-6H,1H3
InChIKeyONAOBFWXMNPKEQ-UHFFFAOYSA-N
XLogP1.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
butane-1,4-diamine;2-ethylperoxybenzaldehyde
CID 175027682
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
2-(2-formylphenoxy)-6-methoxybenzaldehyde
CID 102334226
bis(2-formylphenoxy)-oxophosphanium
CID 87515933
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
methyl 2-(2-formylphenoxy)acetate
CID 5151625
(2-formylphenyl) nitrate;methanol
CID 175529828
(2-formylphenyl) ethanesulfonate
CID 142982567
2-ethynoxybenzaldehyde
CID 12559935
2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033818

Frequently Asked Questions

What is the IUPAC name of 2-methylperoxybenzaldehyde?
The IUPAC name of 2-methylperoxybenzaldehyde (CID 23505479) is 2-methylperoxybenzaldehyde.
What is the SMILES notation for 2-methylperoxybenzaldehyde?
The canonical SMILES for 2-methylperoxybenzaldehyde is COOc1ccccc1C=O.
What is the InChIKey of 2-methylperoxybenzaldehyde?
The InChIKey is ONAOBFWXMNPKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-10-11-8-5-3-2-4-7(8)6-9/h2-6H,1H3.
What are the key properties of 2-methylperoxybenzaldehyde?
2-methylperoxybenzaldehyde has a molecular weight of 152.15 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylperoxybenzaldehyde is sourced from PubChem (CID 23505479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).