benzyl (E)-3-phenylprop-2-enoate

C16H14O2 — CID 5273469

IUPACbenzyl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+
InChIKeyNGHOLYJTSCBCGC-VAWYXSNFSA-N
MW238.29 g/mol
LogP3.44
Rot. Bonds4

About benzyl (E)-3-phenylprop-2-enoate

benzyl (E)-3-phenylprop-2-enoate (PubChem CID 5273469) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is benzyl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Namebenzyl (E)-3-phenylprop-2-enoate
PubChem CID5273469
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Namebenzyl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+
InChIKeyNGHOLYJTSCBCGC-VAWYXSNFSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl (E)-3-phenylprop-2-enoate?
The IUPAC name of benzyl (E)-3-phenylprop-2-enoate (CID 5273469) is benzyl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for benzyl (E)-3-phenylprop-2-enoate?
The canonical SMILES for benzyl (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl (E)-3-phenylprop-2-enoate?
The InChIKey is NGHOLYJTSCBCGC-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+.
What are the key properties of benzyl (E)-3-phenylprop-2-enoate?
benzyl (E)-3-phenylprop-2-enoate has a molecular weight of 238.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 5273469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).