ethyl (Z)-3-chloro-5-phenylpent-3-enoate

C13H15ClO2 — CID 101341488

IUPACethyl (Z)-3-chloro-5-phenylpent-3-enoate
SMILESCCOC(=O)C/C(Cl)=C/Cc1ccccc1
InChIInChI=1S/C13H15ClO2/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3/b12-9-
InChIKeyXVZKOOUQOGEUEA-XFXZXTDPSA-N
MW238.71 g/mol
LogP3.31
Rot. Bonds5

About ethyl (Z)-3-chloro-5-phenylpent-3-enoate

ethyl (Z)-3-chloro-5-phenylpent-3-enoate (PubChem CID 101341488) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is ethyl (Z)-3-chloro-5-phenylpent-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-chloro-5-phenylpent-3-enoate
PubChem CID101341488
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Nameethyl (Z)-3-chloro-5-phenylpent-3-enoate
SMILESCCOC(=O)C/C(Cl)=C/Cc1ccccc1
InChIInChI=1S/C13H15ClO2/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3/b12-9-
InChIKeyXVZKOOUQOGEUEA-XFXZXTDPSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate
CID 135062042
3,3-diethoxyprop-2-enylbenzene
CID 68782187
ethyl 2-phenylacetate
CID 7590
ethyl (E)-2-(2-chlorophenyl)-4-phenylbut-2-enoate
CID 177411862
diethyl (2E)-2-(3-phenylpropylidene)butanedioate
CID 11011721
ethyl 2-phenylacetate;hydrate
CID 141257001
methyl (E)-2-methoxy-4-phenylbut-2-enoate
CID 11171761
ethyl (Z)-3-phenylpent-3-enoate
CID 134988020
2-chloro-4-phenylbut-2-en-1-ol
CID 54426656
ethyl 3-imino-5-phenylpentanoate
CID 58878336
bis(ethyl (E)-3-hydroxy-6-phenylhex-4-enoate);ethyl (E)-3-oxo-6-phenylhex-4-enoate
CID 159208849
CID 6332799
CID 6332799

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-chloro-5-phenylpent-3-enoate?
The IUPAC name of ethyl (Z)-3-chloro-5-phenylpent-3-enoate (CID 101341488) is ethyl (Z)-3-chloro-5-phenylpent-3-enoate.
What is the SMILES notation for ethyl (Z)-3-chloro-5-phenylpent-3-enoate?
The canonical SMILES for ethyl (Z)-3-chloro-5-phenylpent-3-enoate is CCOC(=O)C/C(Cl)=C/Cc1ccccc1.
What is the InChIKey of ethyl (Z)-3-chloro-5-phenylpent-3-enoate?
The InChIKey is XVZKOOUQOGEUEA-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3/b12-9-.
What are the key properties of ethyl (Z)-3-chloro-5-phenylpent-3-enoate?
ethyl (Z)-3-chloro-5-phenylpent-3-enoate has a molecular weight of 238.71 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-chloro-5-phenylpent-3-enoate is sourced from PubChem (CID 101341488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).