ethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate

C13H16O4 — CID 142680808

IUPACethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate
SMILESCCOC(=O)/C(=C/Oc1ccccc1)OCC
InChIInChI=1S/C13H16O4/c1-3-15-12(13(14)16-4-2)10-17-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10-
InChIKeyBAWCZIRCQXCXOA-BENRWUELSA-N
MW236.27 g/mol
LogP2.51
Rot. Bonds6

About ethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate

ethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate (PubChem CID 142680808) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate
PubChem CID142680808
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Nameethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate
SMILESCCOC(=O)/C(=C/Oc1ccccc1)OCC
InChIInChI=1S/C13H16O4/c1-3-15-12(13(14)16-4-2)10-17-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10-
InChIKeyBAWCZIRCQXCXOA-BENRWUELSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-phenoxy-3-phenylprop-2-enoate
CID 72829048
ethyl 2-phenylpent-2-enoate
CID 148550128
cis-(1S,3S)-3-(3-ethoxy-3-oxo-2-phenoxyprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 139605031
ethyl 2-oxo-2-phenylacetate
CID 15349
ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
ethyl 3-[2-[(E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]phenyl]-2-ethoxyprop-2-enoate
CID 139693295
ethyl (E)-2-butoxy-3-phenylprop-2-enoate
CID 70582415
diethyl oxalate;N-phenylaniline
CID 174415380
ethyl 3-phenyl-2-sulfanylidenepropanoate
CID 54295653
ethyl (Z)-3-amino-2-phenylprop-2-enoate
CID 168921248
ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
CID 12898650
1-O-ethyl 6-O-phenyl (Z)-2,4,4-trimethylhex-2-enedioate
CID 162705358

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate?
The IUPAC name of ethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate (CID 142680808) is ethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate?
The canonical SMILES for ethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate is CCOC(=O)/C(=C/Oc1ccccc1)OCC.
What is the InChIKey of ethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate?
The InChIKey is BAWCZIRCQXCXOA-BENRWUELSA-N. The full InChI is InChI=1S/C13H16O4/c1-3-15-12(13(14)16-4-2)10-17-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10-.
What are the key properties of ethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate?
ethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate has a molecular weight of 236.27 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-ethoxy-3-phenoxyprop-2-enoate is sourced from PubChem (CID 142680808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).