ethyl (Z)-2,6-dichloro-4-phenylhex-4-enoate

C14H16Cl2O2 — CID 56956936

IUPACethyl (Z)-2,6-dichloro-4-phenylhex-4-enoate
SMILESCCOC(=O)C(Cl)C/C(=C/CCl)c1ccccc1
InChIInChI=1S/C14H16Cl2O2/c1-2-18-14(17)13(16)10-12(8-9-15)11-6-4-3-5-7-11/h3-8,13H,2,9-10H2,1H3/b12-8-
InChIKeyOAEBLVYJGSGFJJ-WQLSENKSSA-N
MW287.19 g/mol
LogP3.87
Rot. Bonds6

About ethyl (Z)-2,6-dichloro-4-phenylhex-4-enoate

ethyl (Z)-2,6-dichloro-4-phenylhex-4-enoate (PubChem CID 56956936) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is ethyl (Z)-2,6-dichloro-4-phenylhex-4-enoate.

Molecular Properties

Compound Nameethyl (Z)-2,6-dichloro-4-phenylhex-4-enoate
PubChem CID56956936
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Nameethyl (Z)-2,6-dichloro-4-phenylhex-4-enoate
SMILESCCOC(=O)C(Cl)C/C(=C/CCl)c1ccccc1
InChIInChI=1S/C14H16Cl2O2/c1-2-18-14(17)13(16)10-12(8-9-15)11-6-4-3-5-7-11/h3-8,13H,2,9-10H2,1H3/b12-8-
InChIKeyOAEBLVYJGSGFJJ-WQLSENKSSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-2,2,6-trichloro-4-phenylhex-4-enoate
CID 56958103
3-chloro-4-ethoxy-4-oxobutanoic acid
CID 23366083
chloroethane;ethyl benzoate
CID 91175503
diethyl (2S)-2-chlorobutanedioate
CID 45116938
dimethyl 2-[(E)-3-phenylpent-2-enyl]propanedioate
CID 142068589
ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 11020407
ethyl 2-chloro-3-oxopropanoate;toluene
CID 88523995
ethyl 2-benzoyl-3-methylpent-4-enoate
CID 11447973
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
(3R)-4-ethoxy-4-oxo-3-phenylbutanoic acid
CID 2276730
ethyl (Z)-3-phenylpent-3-enoate
CID 134988020
ethyl 3-chloro-2,4-dioxo-4-phenylbutanoate
CID 12506773

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2,6-dichloro-4-phenylhex-4-enoate?
The IUPAC name of ethyl (Z)-2,6-dichloro-4-phenylhex-4-enoate (CID 56956936) is ethyl (Z)-2,6-dichloro-4-phenylhex-4-enoate.
What is the SMILES notation for ethyl (Z)-2,6-dichloro-4-phenylhex-4-enoate?
The canonical SMILES for ethyl (Z)-2,6-dichloro-4-phenylhex-4-enoate is CCOC(=O)C(Cl)C/C(=C/CCl)c1ccccc1.
What is the InChIKey of ethyl (Z)-2,6-dichloro-4-phenylhex-4-enoate?
The InChIKey is OAEBLVYJGSGFJJ-WQLSENKSSA-N. The full InChI is InChI=1S/C14H16Cl2O2/c1-2-18-14(17)13(16)10-12(8-9-15)11-6-4-3-5-7-11/h3-8,13H,2,9-10H2,1H3/b12-8-.
What are the key properties of ethyl (Z)-2,6-dichloro-4-phenylhex-4-enoate?
ethyl (Z)-2,6-dichloro-4-phenylhex-4-enoate has a molecular weight of 287.19 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2,6-dichloro-4-phenylhex-4-enoate is sourced from PubChem (CID 56956936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).