2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone

C14H18Cl2O — CID 22770095

IUPAC2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone
SMILESCC(C)c1ccc(C(=O)C(Cl)Cl)c(C(C)C)c1
InChIInChI=1S/C14H18Cl2O/c1-8(2)10-5-6-11(13(17)14(15)16)12(7-10)9(3)4/h5-9,14H,1-4H3
InChIKeyKIBJJPWMSKHXHE-UHFFFAOYSA-N
MW273.20 g/mol
LogP4.92
Rot. Bonds4

About 2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone

2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone (PubChem CID 22770095) has the molecular formula C14H18Cl2O and a molecular weight of 273.20 g/mol. Its IUPAC name is 2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone
PubChem CID22770095
Molecular FormulaC14H18Cl2O
Molecular Weight273.20 g/mol
Exact Mass272.07
IUPAC Name2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone
SMILESCC(C)c1ccc(C(=O)C(Cl)Cl)c(C(C)C)c1
InChIInChI=1S/C14H18Cl2O/c1-8(2)10-5-6-11(13(17)14(15)16)12(7-10)9(3)4/h5-9,14H,1-4H3
InChIKeyKIBJJPWMSKHXHE-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one
CID 43160225
1-[2,4-bis(difluoromethyl)phenyl]-2-chloropropan-1-one
CID 166640747
[2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone
CID 63492494
1-(2-chloro-4-propan-2-ylphenyl)-2-methylpropan-1-one
CID 163264575
1-[2,4-di(propan-2-yl)phenyl]hexan-1-one
CID 43338073
4-[2,4-di(propan-2-yl)phenyl]-2,2-dimethyl-4-oxobutanoic acid
CID 65298257
1-[2,4-di(propan-2-yl)phenyl]octan-1-one
CID 63492659
[(2S)-1-[2,4-di(propan-2-yl)phenyl]-1-oxopropan-2-yl] 4-(dimethylamino)benzoate
CID 2104127
2,5-di(propan-2-yl)benzoyl fluoride
CID 45081927
2-propan-2-ylbenzene-1,4-dicarbonyl chloride
CID 139767671
2,4-di(propan-2-yl)phenol
CID 18048
2-tert-butyl-4-propan-2-ylbenzoic acid
CID 70422407

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone?
The IUPAC name of 2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone (CID 22770095) is 2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone.
What is the SMILES notation for 2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone?
The canonical SMILES for 2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone is CC(C)c1ccc(C(=O)C(Cl)Cl)c(C(C)C)c1.
What is the InChIKey of 2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone?
The InChIKey is KIBJJPWMSKHXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O/c1-8(2)10-5-6-11(13(17)14(15)16)12(7-10)9(3)4/h5-9,14H,1-4H3.
What are the key properties of 2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone?
2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone has a molecular weight of 273.20 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone is sourced from PubChem (CID 22770095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).