1-(2,4-dichlorophenyl)-4-methylpentan-2-one

C12H14Cl2O — CID 39348531

IUPAC1-(2,4-dichlorophenyl)-4-methylpentan-2-one
SMILESCC(C)CC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2O/c1-8(2)5-11(15)6-9-3-4-10(13)7-12(9)14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyIQHWIWHGDOAUCE-UHFFFAOYSA-N
MW245.15 g/mol
LogP4.15
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-4-methylpentan-2-one

1-(2,4-dichlorophenyl)-4-methylpentan-2-one (PubChem CID 39348531) has the molecular formula C12H14Cl2O and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-methylpentan-2-one
PubChem CID39348531
Molecular FormulaC12H14Cl2O
Molecular Weight245.15 g/mol
Exact Mass244.04
IUPAC Name1-(2,4-dichlorophenyl)-4-methylpentan-2-one
SMILESCC(C)CC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2O/c1-8(2)5-11(15)6-9-3-4-10(13)7-12(9)14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyIQHWIWHGDOAUCE-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)-4,5,5-trimethylhexan-2-one
CID 114967176
5-amino-1-(2,4-dichlorophenyl)hexan-2-one
CID 116571543
1-(2,4-dichlorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 103455227
3-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116553435
4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one
CID 116564374
4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one
CID 116612120
(Z)-3-[(2,4-dichlorophenyl)methyl]-4-methylpent-2-enoic acid
CID 82093437
6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116607435
1-(5-chloro-2-fluorophenyl)-5-methylhexan-3-one
CID 103047172
3-(aminomethyl)-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116597817
1-(2-fluoro-5-methylphenyl)-4-methylpentan-2-one
CID 149183535
1-(2,4-dichlorophenyl)-4-methoxybutan-2-one
CID 62621708

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-methylpentan-2-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-methylpentan-2-one (CID 39348531) is 1-(2,4-dichlorophenyl)-4-methylpentan-2-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-methylpentan-2-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-methylpentan-2-one is CC(C)CC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-methylpentan-2-one?
The InChIKey is IQHWIWHGDOAUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O/c1-8(2)5-11(15)6-9-3-4-10(13)7-12(9)14/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-4-methylpentan-2-one?
1-(2,4-dichlorophenyl)-4-methylpentan-2-one has a molecular weight of 245.15 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-methylpentan-2-one is sourced from PubChem (CID 39348531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).