ethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate

C19H14Cl2O2 — CID 25260453

IUPACethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate
SMILESCCOC(=O)C=C=C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2O2/c1-2-23-19(22)5-3-4-18(14-6-10-16(20)11-7-14)15-8-12-17(21)13-9-15/h5-13H,2H2,1H3
InChIKeyDHDIGINOORNJQI-UHFFFAOYSA-N
MW345.23 g/mol
LogP5.30
Rot. Bonds4

About ethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate

ethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate (PubChem CID 25260453) has the molecular formula C19H14Cl2O2 and a molecular weight of 345.23 g/mol. Its IUPAC name is ethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate.

Molecular Properties

Compound Nameethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate
PubChem CID25260453
Molecular FormulaC19H14Cl2O2
Molecular Weight345.23 g/mol
Exact Mass344.04
IUPAC Nameethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate
SMILESCCOC(=O)C=C=C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2O2/c1-2-23-19(22)5-3-4-18(14-6-10-16(20)11-7-14)15-8-12-17(21)13-9-15/h5-13H,2H2,1H3
InChIKeyDHDIGINOORNJQI-UHFFFAOYSA-N
XLogP5.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.23
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 5,5-diphenylpenta-2,3,4-trienoate
CID 25260452
(Z)-2-(4-chlorophenyl)-4-ethoxy-4-oxobut-2-enoic acid
CID 141256904
ethyl (Z)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enoate
CID 100940925
ethyl (E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-2-enoate
CID 11277437
ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate
CID 11334658
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl (E,5R)-5-(4-chlorophenyl)-3-ethoxy-5-hydroxypent-2-enoate
CID 46895976
ethyl (Z)-5-(4-chlorophenyl)pent-2-en-4-ynoate
CID 44604535
ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate
CID 131732159
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817
ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate
CID 121220788

Frequently Asked Questions

What is the IUPAC name of ethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate?
The IUPAC name of ethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate (CID 25260453) is ethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate.
What is the SMILES notation for ethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate?
The canonical SMILES for ethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate is CCOC(=O)C=C=C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate?
The InChIKey is DHDIGINOORNJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2O2/c1-2-23-19(22)5-3-4-18(14-6-10-16(20)11-7-14)15-8-12-17(21)13-9-15/h5-13H,2H2,1H3.
What are the key properties of ethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate?
ethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate has a molecular weight of 345.23 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate is sourced from PubChem (CID 25260453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).