2-methyl-3-phenyloxirane-2-carbaldehyde

C10H10O2 — CID 12629865

IUPAC2-methyl-3-phenyloxirane-2-carbaldehyde
SMILESCC1(C=O)OC1c1ccccc1
InChIInChI=1S/C10H10O2/c1-10(7-11)9(12-10)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyOOVMGEIJRNCQGB-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.72
Rot. Bonds2

About 2-methyl-3-phenyloxirane-2-carbaldehyde

2-methyl-3-phenyloxirane-2-carbaldehyde (PubChem CID 12629865) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-methyl-3-phenyloxirane-2-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3-phenyloxirane-2-carbaldehyde
PubChem CID12629865
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name2-methyl-3-phenyloxirane-2-carbaldehyde
SMILESCC1(C=O)OC1c1ccccc1
InChIInChI=1S/C10H10O2/c1-10(7-11)9(12-10)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyOOVMGEIJRNCQGB-UHFFFAOYSA-N
XLogP1.72
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyloxirane-2-carbaldehyde?
The IUPAC name of 2-methyl-3-phenyloxirane-2-carbaldehyde (CID 12629865) is 2-methyl-3-phenyloxirane-2-carbaldehyde.
What is the SMILES notation for 2-methyl-3-phenyloxirane-2-carbaldehyde?
The canonical SMILES for 2-methyl-3-phenyloxirane-2-carbaldehyde is CC1(C=O)OC1c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyloxirane-2-carbaldehyde?
The InChIKey is OOVMGEIJRNCQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-10(7-11)9(12-10)8-5-3-2-4-6-8/h2-7,9H,1H3.
What are the key properties of 2-methyl-3-phenyloxirane-2-carbaldehyde?
2-methyl-3-phenyloxirane-2-carbaldehyde has a molecular weight of 162.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyloxirane-2-carbaldehyde is sourced from PubChem (CID 12629865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).