(2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate

C15H9Cl2FO2 — CID 918157

IUPAC(2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc(F)cc1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2FO2/c16-11-4-7-14(13(17)9-11)20-15(19)8-3-10-1-5-12(18)6-2-10/h1-9H
InChIKeyQEUAYKURHHFXBF-UHFFFAOYSA-N
MW311.14 g/mol
LogP4.75
Rot. Bonds3

About (2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate

(2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate (PubChem CID 918157) has the molecular formula C15H9Cl2FO2 and a molecular weight of 311.14 g/mol. Its IUPAC name is (2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate
PubChem CID918157
Molecular FormulaC15H9Cl2FO2
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name(2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc(F)cc1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2FO2/c16-11-4-7-14(13(17)9-11)20-15(19)8-3-10-1-5-12(18)6-2-10/h1-9H
InChIKeyQEUAYKURHHFXBF-UHFFFAOYSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 713446
(2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 774847
(2,4-dichloro-6-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6231829
5-chloro-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxybenzoic acid
CID 54854829
(2,4-dimethylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6128285
(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
1-O-(3-chlorophenyl) 4-O-(2,4-dichlorophenyl) (E)-but-2-enedioate
CID 91734070
[(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 11726774
(2,3-dimethylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6232920
methyl 4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxy-3-methoxybenzoate
CID 26213210
(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 175109384

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of (2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate (CID 918157) is (2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for (2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for (2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate is O=C(C=Cc1ccc(F)cc1)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is QEUAYKURHHFXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FO2/c16-11-4-7-14(13(17)9-11)20-15(19)8-3-10-1-5-12(18)6-2-10/h1-9H.
What are the key properties of (2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate?
(2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 311.14 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 918157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).