ethyl (Z)-3-phenylpent-3-enoate

C13H16O2 — CID 134988020

IUPACethyl (Z)-3-phenylpent-3-enoate
SMILESC/C=C(/CC(=O)OCC)c1ccccc1
InChIInChI=1S/C13H16O2/c1-3-11(10-13(14)15-4-2)12-8-6-5-7-9-12/h3,5-9H,4,10H2,1-2H3/b11-3-
InChIKeyOTXDUQFPZDNMNV-JYOAFUTRSA-N
MW204.27 g/mol
LogP3.04
Rot. Bonds4

About ethyl (Z)-3-phenylpent-3-enoate

ethyl (Z)-3-phenylpent-3-enoate (PubChem CID 134988020) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is ethyl (Z)-3-phenylpent-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-phenylpent-3-enoate
PubChem CID134988020
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Nameethyl (Z)-3-phenylpent-3-enoate
SMILESC/C=C(/CC(=O)OCC)c1ccccc1
InChIInChI=1S/C13H16O2/c1-3-11(10-13(14)15-4-2)12-8-6-5-7-9-12/h3,5-9H,4,10H2,1-2H3/b11-3-
InChIKeyOTXDUQFPZDNMNV-JYOAFUTRSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (E)-3-phenylpent-3-enoate
CID 10012736
CID 6332799
CID 6332799
benzamide;3-ethoxy-3-oxopropanoic acid
CID 174904101
ethyl 3,5-dioxo-5-phenylpentanoate
CID 14099759
ethyl 4-methyl-3-phenylpent-3-enoate
CID 14521609
ethyl (Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylhex-3-enoate
CID 18322978
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
ethyl 4,4-dicyano-3-phenylbut-3-enoate
CID 10514187
ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate
CID 134967582
ethyl 3-anilino-3-oxopropanoate
CID 3016808
ethyl 2-(1-phenylethenylamino)acetate
CID 142204564
CID 158970570
CID 158970570

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-phenylpent-3-enoate?
The IUPAC name of ethyl (Z)-3-phenylpent-3-enoate (CID 134988020) is ethyl (Z)-3-phenylpent-3-enoate.
What is the SMILES notation for ethyl (Z)-3-phenylpent-3-enoate?
The canonical SMILES for ethyl (Z)-3-phenylpent-3-enoate is C/C=C(/CC(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl (Z)-3-phenylpent-3-enoate?
The InChIKey is OTXDUQFPZDNMNV-JYOAFUTRSA-N. The full InChI is InChI=1S/C13H16O2/c1-3-11(10-13(14)15-4-2)12-8-6-5-7-9-12/h3,5-9H,4,10H2,1-2H3/b11-3-.
What are the key properties of ethyl (Z)-3-phenylpent-3-enoate?
ethyl (Z)-3-phenylpent-3-enoate has a molecular weight of 204.27 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-phenylpent-3-enoate is sourced from PubChem (CID 134988020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).