ethyl 2-phenoxy-3-phenylprop-2-enoate

C17H16O3 — CID 72829048

IUPACethyl 2-phenoxy-3-phenylprop-2-enoate
SMILESCCOC(=O)C(=Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H16O3/c1-2-19-17(18)16(13-14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyFODWCWCHSVIBFY-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.67
Rot. Bonds5

About ethyl 2-phenoxy-3-phenylprop-2-enoate

ethyl 2-phenoxy-3-phenylprop-2-enoate (PubChem CID 72829048) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 2-phenoxy-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl 2-phenoxy-3-phenylprop-2-enoate
PubChem CID72829048
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Nameethyl 2-phenoxy-3-phenylprop-2-enoate
SMILESCCOC(=O)C(=Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H16O3/c1-2-19-17(18)16(13-14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyFODWCWCHSVIBFY-UHFFFAOYSA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-2-butoxy-3-phenylprop-2-enoate
CID 70582415
2-phenoxy-3-phenylprop-2-enamide
CID 70366581
ethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate
CID 175073664
benzyl 5-[(Z)-3-ethoxy-3-oxo-2-phenoxyprop-1-enyl]-2-methoxybenzoate
CID 11059107
ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate
CID 141374612
(Z)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid
CID 643851
ethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate
CID 142680808
ethyl (E)-3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-phenoxyprop-2-enoate
CID 140524747
cis-(1S,3S)-3-(3-ethoxy-3-oxo-2-phenoxyprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 139605031
ethyl 2-methylsulfanyl-3-phenylprop-2-enoate
CID 71381071
ethyl (Z)-2-(bromomethyl)-3-phenyl(313C)prop-2-enoate
CID 11369236
ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate
CID 15881087

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenoxy-3-phenylprop-2-enoate?
The IUPAC name of ethyl 2-phenoxy-3-phenylprop-2-enoate (CID 72829048) is ethyl 2-phenoxy-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl 2-phenoxy-3-phenylprop-2-enoate?
The canonical SMILES for ethyl 2-phenoxy-3-phenylprop-2-enoate is CCOC(=O)C(=Cc1ccccc1)Oc1ccccc1.
What is the InChIKey of ethyl 2-phenoxy-3-phenylprop-2-enoate?
The InChIKey is FODWCWCHSVIBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-2-19-17(18)16(13-14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-13H,2H2,1H3.
What are the key properties of ethyl 2-phenoxy-3-phenylprop-2-enoate?
ethyl 2-phenoxy-3-phenylprop-2-enoate has a molecular weight of 268.31 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenoxy-3-phenylprop-2-enoate is sourced from PubChem (CID 72829048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).