ethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate

C15H11Cl3O3 — CID 53441856

IUPACethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C15H11Cl3O3/c1-2-20-14(19)6-4-10-3-5-13(21-10)15-11(17)7-9(16)8-12(15)18/h3-8H,2H2,1H3
InChIKeyCVDOVZYGFLWVNV-UHFFFAOYSA-N
MW345.61 g/mol
LogP5.48
Rot. Bonds4

About ethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate

ethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate (PubChem CID 53441856) has the molecular formula C15H11Cl3O3 and a molecular weight of 345.61 g/mol. Its IUPAC name is ethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate
PubChem CID53441856
Molecular FormulaC15H11Cl3O3
Molecular Weight345.61 g/mol
Exact Mass343.98
IUPAC Nameethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C15H11Cl3O3/c1-2-20-14(19)6-4-10-3-5-13(21-10)15-11(17)7-9(16)8-12(15)18/h3-8H,2H2,1H3
InChIKeyCVDOVZYGFLWVNV-UHFFFAOYSA-N
XLogP5.48
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.61
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoate
CID 87239785
ethyl (E)-3-[5-(4-bromo-3-methylphenyl)furan-2-yl]prop-2-enoate
CID 91675625
5-[(E)-3-ethoxy-3-oxoprop-1-enyl]furan-2-carboxylic acid
CID 14929374
ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
CID 6270175
ethyl (E)-3-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoate
CID 50882525
ethyl (E)-3-[5-(4-methoxy-3-nitrophenyl)furan-2-yl]prop-2-enoate
CID 91675688
ethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate
CID 83764600
ethyl (E)-3-(3,5-dichloro-4-methoxyphenyl)prop-2-enoate
CID 67390103
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 28665530
ethyl (E)-3-(2-chloro-4-methylphenyl)prop-2-enoate
CID 11064102
(E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one
CID 50884913
methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate
CID 69037771

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate?
The IUPAC name of ethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate (CID 53441856) is ethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate?
The canonical SMILES for ethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate is CCOC(=O)C=Cc1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1.
What is the InChIKey of ethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate?
The InChIKey is CVDOVZYGFLWVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O3/c1-2-20-14(19)6-4-10-3-5-13(21-10)15-11(17)7-9(16)8-12(15)18/h3-8H,2H2,1H3.
What are the key properties of ethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate?
ethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate has a molecular weight of 345.61 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-(2,4,6-trichlorophenyl)furan-2-yl]prop-2-enoate is sourced from PubChem (CID 53441856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).