5-(3,5-dichlorophenyl)-4-methylpentan-2-one

C12H14Cl2O — CID 83924807

IUPAC5-(3,5-dichlorophenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl2O/c1-8(3-9(2)15)4-10-5-11(13)7-12(14)6-10/h5-8H,3-4H2,1-2H3
InChIKeyICUOZIXMDLXCDN-UHFFFAOYSA-N
MW245.15 g/mol
LogP4.15
Rot. Bonds4

About 5-(3,5-dichlorophenyl)-4-methylpentan-2-one

5-(3,5-dichlorophenyl)-4-methylpentan-2-one (PubChem CID 83924807) has the molecular formula C12H14Cl2O and a molecular weight of 245.15 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-4-methylpentan-2-one
PubChem CID83924807
Molecular FormulaC12H14Cl2O
Molecular Weight245.15 g/mol
Exact Mass244.04
IUPAC Name5-(3,5-dichlorophenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl2O/c1-8(3-9(2)15)4-10-5-11(13)7-12(14)6-10/h5-8H,3-4H2,1-2H3
InChIKeyICUOZIXMDLXCDN-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

5-(3-chlorophenyl)-4-methylpentan-2-one
CID 64721392
5-(3,5-dichloro-4-methoxyphenyl)-4-methylpentan-2-one
CID 83928629
(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid
CID 95001565
4-methyl-5-(2,3,5,6-tetrachlorophenyl)pentan-2-one
CID 83925029
5-(4-bromophenyl)-4-methylpentan-2-one
CID 64718506
5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one
CID 83922980
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one
CID 83938850
2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride
CID 11380226
2-bromo-1-(3,5-dichlorophenyl)pentan-3-one
CID 62395360
5-(3,4-diethoxyphenyl)-4-methylpentan-2-one
CID 83923565
1-[3-chloro-5-(2-methylpropyl)phenyl]-3-methylbutan-2-one
CID 176774889
4-[(2S)-2-aminopropyl]phenol;(4S)-5-(4-hydroxyphenyl)-4-methylpentan-2-one;hydrochloride
CID 158091851

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-4-methylpentan-2-one?
The IUPAC name of 5-(3,5-dichlorophenyl)-4-methylpentan-2-one (CID 83924807) is 5-(3,5-dichlorophenyl)-4-methylpentan-2-one.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-4-methylpentan-2-one?
The canonical SMILES for 5-(3,5-dichlorophenyl)-4-methylpentan-2-one is CC(=O)CC(C)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-4-methylpentan-2-one?
The InChIKey is ICUOZIXMDLXCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O/c1-8(3-9(2)15)4-10-5-11(13)7-12(14)6-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-(3,5-dichlorophenyl)-4-methylpentan-2-one?
5-(3,5-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 5-(3,5-dichlorophenyl)-4-methylpentan-2-one is sourced from PubChem (CID 83924807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).