(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one

C15H9Cl3O — CID 7947559

IUPAC(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H9Cl3O/c16-11-6-7-14(18)12(9-11)15(19)8-5-10-3-1-2-4-13(10)17/h1-9H/b8-5+
InChIKeyNSPVYYOXLHKNCE-VMPITWQZSA-N
MW311.60 g/mol
LogP5.54
Rot. Bonds3

About (E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one

(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one (PubChem CID 7947559) has the molecular formula C15H9Cl3O and a molecular weight of 311.60 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
PubChem CID7947559
Molecular FormulaC15H9Cl3O
Molecular Weight311.60 g/mol
Exact Mass309.97
IUPAC Name(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H9Cl3O/c16-11-6-7-14(18)12(9-11)15(19)8-5-10-3-1-2-4-13(10)17/h1-9H/b8-5+
InChIKeyNSPVYYOXLHKNCE-VMPITWQZSA-N
XLogP5.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 7947579
(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one
CID 5388429
(E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
CID 7947589
1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one
CID 131632720
(E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one
CID 7945580
(E)-1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 19562946
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 3633437
(2E,4E)-1-(2,5-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dien-1-one
CID 53376756
1-(2,5-dichlorophenyl)-3-hydroxyprop-2-en-1-one
CID 23719435
1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 84848856
(E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one
CID 101412445
1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 71821316

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one (CID 7947559) is (E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one is O=C(/C=C/c1ccccc1Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of (E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one?
The InChIKey is NSPVYYOXLHKNCE-VMPITWQZSA-N. The full InChI is InChI=1S/C15H9Cl3O/c16-11-6-7-14(18)12(9-11)15(19)8-5-10-3-1-2-4-13(10)17/h1-9H/b8-5+.
What are the key properties of (E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one?
(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one has a molecular weight of 311.60 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 7947559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).