oxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate

C18H16O3 — CID 56950319

IUPACoxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(-c2ccccc2)cc1)OCC1CO1
InChIInChI=1S/C18H16O3/c19-18(21-13-17-12-20-17)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-11,17H,12-13H2/b11-8+
InChIKeyUBOYPBCRADXXHA-DHZHZOJOSA-N
MW280.32 g/mol
LogP3.31
Rot. Bonds5

About oxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate

oxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate (PubChem CID 56950319) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is oxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate
PubChem CID56950319
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Nameoxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(-c2ccccc2)cc1)OCC1CO1
InChIInChI=1S/C18H16O3/c19-18(21-13-17-12-20-17)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-11,17H,12-13H2/b11-8+
InChIKeyUBOYPBCRADXXHA-DHZHZOJOSA-N
XLogP3.31
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate?
The IUPAC name of oxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate (CID 56950319) is oxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate.
What is the SMILES notation for oxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate?
The canonical SMILES for oxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate is O=C(/C=C/c1ccc(-c2ccccc2)cc1)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate?
The InChIKey is UBOYPBCRADXXHA-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H16O3/c19-18(21-13-17-12-20-17)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-11,17H,12-13H2/b11-8+.
What are the key properties of oxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate?
oxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate has a molecular weight of 280.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate is sourced from PubChem (CID 56950319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).