oxiran-2-ylmethyl 3-(4-phenylphenyl)propanoate

C18H18O3 — CID 56950173

IUPACoxiran-2-ylmethyl 3-(4-phenylphenyl)propanoate
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)OCC1CO1
InChIInChI=1S/C18H18O3/c19-18(21-13-17-12-20-17)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,17H,8,11-13H2
InChIKeyWOMUSAXWFPILBI-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.23
Rot. Bonds6

About oxiran-2-ylmethyl 3-(4-phenylphenyl)propanoate

oxiran-2-ylmethyl 3-(4-phenylphenyl)propanoate (PubChem CID 56950173) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is oxiran-2-ylmethyl 3-(4-phenylphenyl)propanoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 3-(4-phenylphenyl)propanoate
PubChem CID56950173
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Nameoxiran-2-ylmethyl 3-(4-phenylphenyl)propanoate
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)OCC1CO1
InChIInChI=1S/C18H18O3/c19-18(21-13-17-12-20-17)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,17H,8,11-13H2
InChIKeyWOMUSAXWFPILBI-UHFFFAOYSA-N
XLogP3.23
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 oxiran-2-ylmethyl 3-(4-phenylphenyl)propanoate?
The IUPAC name of oxiran-2-ylmethyl 3-(4-phenylphenyl)propanoate (CID 56950173) is oxiran-2-ylmethyl 3-(4-phenylphenyl)propanoate.
What is the SMILES notation for oxiran-2-ylmethyl 3-(4-phenylphenyl)propanoate?
The canonical SMILES for oxiran-2-ylmethyl 3-(4-phenylphenyl)propanoate is O=C(CCc1ccc(-c2ccccc2)cc1)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 3-(4-phenylphenyl)propanoate?
The InChIKey is WOMUSAXWFPILBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-18(21-13-17-12-20-17)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,17H,8,11-13H2.
What are the key properties of oxiran-2-ylmethyl 3-(4-phenylphenyl)propanoate?
oxiran-2-ylmethyl 3-(4-phenylphenyl)propanoate has a molecular weight of 282.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 3-(4-phenylphenyl)propanoate is sourced from PubChem (CID 56950173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).