[(E)-3-(4-phenylphenyl)prop-2-enyl] acetate

C17H16O2 — CID 102406335

IUPAC[(E)-3-(4-phenylphenyl)prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16O2/c1-14(18)19-13-5-6-15-9-11-17(12-10-15)16-7-3-2-4-8-16/h2-12H,13H2,1H3/b6-5+
InChIKeyUPRJPXVIINKYOU-AATRIKPKSA-N
MW252.31 g/mol
LogP3.93
Rot. Bonds4

About [(E)-3-(4-phenylphenyl)prop-2-enyl] acetate

[(E)-3-(4-phenylphenyl)prop-2-enyl] acetate (PubChem CID 102406335) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is [(E)-3-(4-phenylphenyl)prop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-(4-phenylphenyl)prop-2-enyl] acetate
PubChem CID102406335
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name[(E)-3-(4-phenylphenyl)prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16O2/c1-14(18)19-13-5-6-15-9-11-17(12-10-15)16-7-3-2-4-8-16/h2-12H,13H2,1H3/b6-5+
InChIKeyUPRJPXVIINKYOU-AATRIKPKSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-phenylphenyl)prop-2-enyl] acetate?
The IUPAC name of [(E)-3-(4-phenylphenyl)prop-2-enyl] acetate (CID 102406335) is [(E)-3-(4-phenylphenyl)prop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-(4-phenylphenyl)prop-2-enyl] acetate?
The canonical SMILES for [(E)-3-(4-phenylphenyl)prop-2-enyl] acetate is CC(=O)OC/C=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [(E)-3-(4-phenylphenyl)prop-2-enyl] acetate?
The InChIKey is UPRJPXVIINKYOU-AATRIKPKSA-N. The full InChI is InChI=1S/C17H16O2/c1-14(18)19-13-5-6-15-9-11-17(12-10-15)16-7-3-2-4-8-16/h2-12H,13H2,1H3/b6-5+.
What are the key properties of [(E)-3-(4-phenylphenyl)prop-2-enyl] acetate?
[(E)-3-(4-phenylphenyl)prop-2-enyl] acetate has a molecular weight of 252.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-phenylphenyl)prop-2-enyl] acetate is sourced from PubChem (CID 102406335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).