ethyl 5-(2-chlorophenyl)-3-methoxypenta-2,4-dienoate

C14H15ClO3 — CID 54351408

IUPACethyl 5-(2-chlorophenyl)-3-methoxypenta-2,4-dienoate
SMILESCCOC(=O)C=C(C=Cc1ccccc1Cl)OC
InChIInChI=1S/C14H15ClO3/c1-3-18-14(16)10-12(17-2)9-8-11-6-4-5-7-13(11)15/h4-10H,3H2,1-2H3
InChIKeyUGAMUUXODBIKTN-UHFFFAOYSA-N
MW266.72 g/mol
LogP3.45
Rot. Bonds5

About ethyl 5-(2-chlorophenyl)-3-methoxypenta-2,4-dienoate

ethyl 5-(2-chlorophenyl)-3-methoxypenta-2,4-dienoate (PubChem CID 54351408) has the molecular formula C14H15ClO3 and a molecular weight of 266.72 g/mol. Its IUPAC name is ethyl 5-(2-chlorophenyl)-3-methoxypenta-2,4-dienoate.

Molecular Properties

Compound Nameethyl 5-(2-chlorophenyl)-3-methoxypenta-2,4-dienoate
PubChem CID54351408
Molecular FormulaC14H15ClO3
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Nameethyl 5-(2-chlorophenyl)-3-methoxypenta-2,4-dienoate
SMILESCCOC(=O)C=C(C=Cc1ccccc1Cl)OC
InChIInChI=1S/C14H15ClO3/c1-3-18-14(16)10-12(17-2)9-8-11-6-4-5-7-13(11)15/h4-10H,3H2,1-2H3
InChIKeyUGAMUUXODBIKTN-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-(2-chlorophenyl)penta-2,4-dienoate
CID 91012118
ethyl (E)-4-(2-chlorophenyl)-2-oxobut-3-enoate
CID 53386631
ethyl 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzoate
CID 692627
(E)-3-(2-chlorophenyl)-N-pentan-2-ylprop-2-enamide
CID 6089494
ethyl (2E,4E)-5-[11-[(1E,3E)-5-ethoxy-3-methoxy-5-oxopenta-1,3-dienyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-3-methoxypenta-2,4-dienoate
CID 11489217
ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate
CID 169481281
3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692551
3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 692550
(E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692552
(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 5339096
2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide
CID 47112935
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6258276

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-chlorophenyl)-3-methoxypenta-2,4-dienoate?
The IUPAC name of ethyl 5-(2-chlorophenyl)-3-methoxypenta-2,4-dienoate (CID 54351408) is ethyl 5-(2-chlorophenyl)-3-methoxypenta-2,4-dienoate.
What is the SMILES notation for ethyl 5-(2-chlorophenyl)-3-methoxypenta-2,4-dienoate?
The canonical SMILES for ethyl 5-(2-chlorophenyl)-3-methoxypenta-2,4-dienoate is CCOC(=O)C=C(C=Cc1ccccc1Cl)OC.
What is the InChIKey of ethyl 5-(2-chlorophenyl)-3-methoxypenta-2,4-dienoate?
The InChIKey is UGAMUUXODBIKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO3/c1-3-18-14(16)10-12(17-2)9-8-11-6-4-5-7-13(11)15/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 5-(2-chlorophenyl)-3-methoxypenta-2,4-dienoate?
ethyl 5-(2-chlorophenyl)-3-methoxypenta-2,4-dienoate has a molecular weight of 266.72 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-chlorophenyl)-3-methoxypenta-2,4-dienoate is sourced from PubChem (CID 54351408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).