2-[methoxy(phenyl)methyl]-3-(4-phenylphenyl)oxirane

C22H20O2 — CID 86766828

IUPAC2-[methoxy(phenyl)methyl]-3-(4-phenylphenyl)oxirane
SMILESCOC(c1ccccc1)C1OC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20O2/c1-23-20(18-10-6-3-7-11-18)22-21(24-22)19-14-12-17(13-15-19)16-8-4-2-5-9-16/h2-15,20-22H,1H3
InChIKeySGLHGGVEOQKJDM-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.18
Rot. Bonds5

About 2-[methoxy(phenyl)methyl]-3-(4-phenylphenyl)oxirane

2-[methoxy(phenyl)methyl]-3-(4-phenylphenyl)oxirane (PubChem CID 86766828) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[methoxy(phenyl)methyl]-3-(4-phenylphenyl)oxirane.

Molecular Properties

Compound Name2-[methoxy(phenyl)methyl]-3-(4-phenylphenyl)oxirane
PubChem CID86766828
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name2-[methoxy(phenyl)methyl]-3-(4-phenylphenyl)oxirane
SMILESCOC(c1ccccc1)C1OC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20O2/c1-23-20(18-10-6-3-7-11-18)22-21(24-22)19-14-12-17(13-15-19)16-8-4-2-5-9-16/h2-15,20-22H,1H3
InChIKeySGLHGGVEOQKJDM-UHFFFAOYSA-N
XLogP5.18
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(phenyl)methyl]-3-(4-phenylphenyl)oxirane?
The IUPAC name of 2-[methoxy(phenyl)methyl]-3-(4-phenylphenyl)oxirane (CID 86766828) is 2-[methoxy(phenyl)methyl]-3-(4-phenylphenyl)oxirane.
What is the SMILES notation for 2-[methoxy(phenyl)methyl]-3-(4-phenylphenyl)oxirane?
The canonical SMILES for 2-[methoxy(phenyl)methyl]-3-(4-phenylphenyl)oxirane is COC(c1ccccc1)C1OC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[methoxy(phenyl)methyl]-3-(4-phenylphenyl)oxirane?
The InChIKey is SGLHGGVEOQKJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-23-20(18-10-6-3-7-11-18)22-21(24-22)19-14-12-17(13-15-19)16-8-4-2-5-9-16/h2-15,20-22H,1H3.
What are the key properties of 2-[methoxy(phenyl)methyl]-3-(4-phenylphenyl)oxirane?
2-[methoxy(phenyl)methyl]-3-(4-phenylphenyl)oxirane has a molecular weight of 316.40 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(phenyl)methyl]-3-(4-phenylphenyl)oxirane is sourced from PubChem (CID 86766828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).