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

C16H12Cl2O — CID 4851047

IUPAC3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
SMILESCc1ccccc1C(=O)C=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl2O/c1-11-5-2-3-7-13(11)15(19)10-9-12-6-4-8-14(17)16(12)18/h2-10H,1H3
InChIKeyGTILOHUMNJUOSO-UHFFFAOYSA-N
MW291.18 g/mol
LogP5.20
Rot. Bonds3

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

3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one (PubChem CID 4851047) has the molecular formula C16H12Cl2O and a molecular weight of 291.18 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
PubChem CID4851047
Molecular FormulaC16H12Cl2O
Molecular Weight291.18 g/mol
Exact Mass290.03
IUPAC Name3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
SMILESCc1ccccc1C(=O)C=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl2O/c1-11-5-2-3-7-13(11)15(19)10-9-12-6-4-8-14(17)16(12)18/h2-10H,1H3
InChIKeyGTILOHUMNJUOSO-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

(E)-1,3-bis(2-methylphenyl)prop-2-en-1-one;ethane
CID 91348083
(E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 164898916
(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one
CID 5388429
(E)-3-(2,3-dichlorophenyl)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 7947478
(E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one
CID 18292568
(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid
CID 2412390
3-(4-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 582919
(E)-3-(3-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359479
(E)-1-(2-methylphenyl)-3-[3-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 58692940
(E)-3-(2,3-dichlorophenyl)prop-2-enoate
CID 2063719
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 3633437
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5404066

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one?
The IUPAC name of 3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one (CID 4851047) is 3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one is Cc1ccccc1C(=O)C=Cc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one?
The InChIKey is GTILOHUMNJUOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O/c1-11-5-2-3-7-13(11)15(19)10-9-12-6-4-8-14(17)16(12)18/h2-10H,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one?
3-(2,3-dichlorophenyl)-1-(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 3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 4851047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).