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

C17H14O4 — CID 174397517

IUPAC(2-phenoxyacetyl) (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OC(=O)COc1ccccc1
InChIInChI=1S/C17H14O4/c18-16(12-11-14-7-3-1-4-8-14)21-17(19)13-20-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+
InChIKeyOTBAOZKIDMFWEO-VAWYXSNFSA-N
MW282.30 g/mol
LogP2.85
Rot. Bonds5

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

(2-phenoxyacetyl) (E)-3-phenylprop-2-enoate (PubChem CID 174397517) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2-phenoxyacetyl) (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(2-phenoxyacetyl) (E)-3-phenylprop-2-enoate
PubChem CID174397517
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name(2-phenoxyacetyl) (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OC(=O)COc1ccccc1
InChIInChI=1S/C17H14O4/c18-16(12-11-14-7-3-1-4-8-14)21-17(19)13-20-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+
InChIKeyOTBAOZKIDMFWEO-VAWYXSNFSA-N
XLogP2.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide
CID 2255949
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate
CID 89388699
(3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one
CID 51040868
acetyl 3-phenylprop-2-enoate
CID 57206996
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
2-(3-phenylprop-2-enoyloxy)acetic acid
CID 54392103
2-hydroxy-2-[2-oxo-2-(3-phenylprop-2-enoyloxy)ethyl]butanedioic acid
CID 150356484
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6048328
[(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate
CID 11173647

Frequently Asked Questions

What is the IUPAC name of (2-phenoxyacetyl) (E)-3-phenylprop-2-enoate?
The IUPAC name of (2-phenoxyacetyl) (E)-3-phenylprop-2-enoate (CID 174397517) is (2-phenoxyacetyl) (E)-3-phenylprop-2-enoate.
What is the SMILES notation for (2-phenoxyacetyl) (E)-3-phenylprop-2-enoate?
The canonical SMILES for (2-phenoxyacetyl) (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)OC(=O)COc1ccccc1.
What is the InChIKey of (2-phenoxyacetyl) (E)-3-phenylprop-2-enoate?
The InChIKey is OTBAOZKIDMFWEO-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H14O4/c18-16(12-11-14-7-3-1-4-8-14)21-17(19)13-20-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+.
What are the key properties of (2-phenoxyacetyl) (E)-3-phenylprop-2-enoate?
(2-phenoxyacetyl) (E)-3-phenylprop-2-enoate has a molecular weight of 282.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxyacetyl) (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 174397517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).