(2,4-dichlorophenyl)-(3-propylphenyl)methanone

C16H14Cl2O — CID 115812034

IUPAC(2,4-dichlorophenyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2O/c1-2-4-11-5-3-6-12(9-11)16(19)14-8-7-13(17)10-15(14)18/h3,5-10H,2,4H2,1H3
InChIKeyZSKHCQGYBSFTED-UHFFFAOYSA-N
MW293.19 g/mol
LogP5.18
Rot. Bonds4

About (2,4-dichlorophenyl)-(3-propylphenyl)methanone

(2,4-dichlorophenyl)-(3-propylphenyl)methanone (PubChem CID 115812034) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3-propylphenyl)methanone
PubChem CID115812034
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name(2,4-dichlorophenyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2O/c1-2-4-11-5-3-6-12(9-11)16(19)14-8-7-13(17)10-15(14)18/h3,5-10H,2,4H2,1H3
InChIKeyZSKHCQGYBSFTED-UHFFFAOYSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.19
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2,4-dichlorophenyl)-(3-propylphenyl)methanone 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

(2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone
CID 116543192
(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812297
(2,4-dichlorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
CID 24725107
(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
CID 63492692
(3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone
CID 115812265
(4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone
CID 116609874
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
(2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone
CID 146007568
(2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone
CID 116543424
(2-tert-butylphenyl)-(3-propylphenyl)methanone
CID 115812250
(2,4-dimethoxyphenyl)-(3-propylphenyl)methanone
CID 115812154
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3-propylphenyl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(3-propylphenyl)methanone (CID 115812034) is (2,4-dichlorophenyl)-(3-propylphenyl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(3-propylphenyl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of (2,4-dichlorophenyl)-(3-propylphenyl)methanone?
The InChIKey is ZSKHCQGYBSFTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c1-2-4-11-5-3-6-12(9-11)16(19)14-8-7-13(17)10-15(14)18/h3,5-10H,2,4H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-(3-propylphenyl)methanone?
(2,4-dichlorophenyl)-(3-propylphenyl)methanone has a molecular weight of 293.19 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3-propylphenyl)methanone is sourced from PubChem (CID 115812034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).