2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one

C12H11Cl3O — CID 105349113

IUPAC2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one
SMILESCC(C(=O)c1c(Cl)cc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C12H11Cl3O/c1-6(7-2-3-7)12(16)11-9(14)4-8(13)5-10(11)15/h4-7H,2-3H2,1H3
InChIKeyJCSJVAAIEBZOKX-UHFFFAOYSA-N
MW277.58 g/mol
LogP4.88
Rot. Bonds3

About 2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one

2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one (PubChem CID 105349113) has the molecular formula C12H11Cl3O and a molecular weight of 277.58 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one
PubChem CID105349113
Molecular FormulaC12H11Cl3O
Molecular Weight277.58 g/mol
Exact Mass275.99
IUPAC Name2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one
SMILESCC(C(=O)c1c(Cl)cc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C12H11Cl3O/c1-6(7-2-3-7)12(16)11-9(14)4-8(13)5-10(11)15/h4-7H,2-3H2,1H3
InChIKeyJCSJVAAIEBZOKX-UHFFFAOYSA-N
XLogP4.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.58
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one
CID 83155251
2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one
CID 115785456
2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
CID 83154434
(2,4-dichloro-6-hydroxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023032
2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid
CID 175668595
cyclopropyl-(2,4-dichloro-6-methoxyphenyl)methanone
CID 82554125
2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one
CID 130682365
2,4,6-trichlorobenzoyl fluoride
CID 154123611
oxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium
CID 173194919
2-cyclopropyl-1-[1-methyl-5-(2,2,2-trichloroacetyl)pyrrol-3-yl]propan-1-one
CID 83153983
4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid
CID 83154757
1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one
CID 102826568

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one?
The IUPAC name of 2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one (CID 105349113) is 2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one is CC(C(=O)c1c(Cl)cc(Cl)cc1Cl)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one?
The InChIKey is JCSJVAAIEBZOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3O/c1-6(7-2-3-7)12(16)11-9(14)4-8(13)5-10(11)15/h4-7H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one?
2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one has a molecular weight of 277.58 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one is sourced from PubChem (CID 105349113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).