(2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate

C16H9Cl2FO3 — CID 6231829

IUPAC(2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESO=Cc1cc(Cl)cc(Cl)c1OC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C16H9Cl2FO3/c17-12-7-11(9-20)16(14(18)8-12)22-15(21)6-3-10-1-4-13(19)5-2-10/h1-9H/b6-3+
InChIKeyKIJXMHZCGDZJSI-ZZXKWVIFSA-N
MW339.15 g/mol
LogP4.56
Rot. Bonds4

About (2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate

(2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate (PubChem CID 6231829) has the molecular formula C16H9Cl2FO3 and a molecular weight of 339.15 g/mol. Its IUPAC name is (2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
PubChem CID6231829
Molecular FormulaC16H9Cl2FO3
Molecular Weight339.15 g/mol
Exact Mass337.99
IUPAC Name(2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESO=Cc1cc(Cl)cc(Cl)c1OC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C16H9Cl2FO3/c17-12-7-11(9-20)16(14(18)8-12)22-15(21)6-3-10-1-4-13(19)5-2-10/h1-9H/b6-3+
InChIKeyKIJXMHZCGDZJSI-ZZXKWVIFSA-N
XLogP4.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-2-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 713446
(2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 918157
(4-chloro-3-methylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 917955
(4-chloro-3-methylphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 917954
[(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 11726774
(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 175109384
(4-methoxyphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 724777
(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 1328070
(4-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 724778
4-[(E)-3-(4-fluorophenoxy)-3-oxoprop-1-enyl]benzoic acid
CID 142730477
(2,4-dichloro-6-formylphenyl) cyclopentanecarboxylate
CID 91694976
(3-formylphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 39199925

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of (2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate (CID 6231829) is (2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for (2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for (2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate is O=Cc1cc(Cl)cc(Cl)c1OC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is KIJXMHZCGDZJSI-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H9Cl2FO3/c17-12-7-11(9-20)16(14(18)8-12)22-15(21)6-3-10-1-4-13(19)5-2-10/h1-9H/b6-3+.
What are the key properties of (2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate?
(2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 339.15 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 6231829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).