1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one

C16H12Cl2O — CID 3633437

IUPAC1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
SMILESCc1ccccc1C=CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2O/c1-11-4-2-3-5-12(11)6-9-16(19)14-8-7-13(17)10-15(14)18/h2-10H,1H3
InChIKeyGIJSNCFEMSUPQS-UHFFFAOYSA-N
MW291.18 g/mol
LogP5.20
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one

1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one (PubChem CID 3633437) has the molecular formula C16H12Cl2O and a molecular weight of 291.18 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
PubChem CID3633437
Molecular FormulaC16H12Cl2O
Molecular Weight291.18 g/mol
Exact Mass290.03
IUPAC Name1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
SMILESCc1ccccc1C=CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2O/c1-11-4-2-3-5-12(11)6-9-16(19)14-8-7-13(17)10-15(14)18/h2-10H,1H3
InChIKeyGIJSNCFEMSUPQS-UHFFFAOYSA-N
XLogP5.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.18
LogP ≤ 55.20
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

1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 71821316
(E)-1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 19562946
1-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 5240637
(E)-1,3-bis(2-methylphenyl)prop-2-en-1-one;ethane
CID 91348083
(E)-1-(2,4-dichlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 46859145
(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 7947559
(E)-1-(2,4-dichlorophenyl)-3-(2,6-dimethylanilino)prop-2-en-1-one
CID 2244087
(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
3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 4851047
1-(2,4-dichlorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54371850
1-(2,4-dichlorophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
CID 3396457

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one (CID 3633437) is 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one is Cc1ccccc1C=CC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one?
The InChIKey is GIJSNCFEMSUPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O/c1-11-4-2-3-5-12(11)6-9-16(19)14-8-7-13(17)10-15(14)18/h2-10H,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one?
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one has a molecular weight of 291.18 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 3633437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).