4-chloro-1-(2-ethylphenyl)butan-1-one

C12H15ClO — CID 14910275

IUPAC4-chloro-1-(2-ethylphenyl)butan-1-one
SMILESCCc1ccccc1C(=O)CCCCl
InChIInChI=1S/C12H15ClO/c1-2-10-6-3-4-7-11(10)12(14)8-5-9-13/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyUPJRWGSZBIVHOK-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.45
Rot. Bonds5

About 4-chloro-1-(2-ethylphenyl)butan-1-one

4-chloro-1-(2-ethylphenyl)butan-1-one (PubChem CID 14910275) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 4-chloro-1-(2-ethylphenyl)butan-1-one.

Molecular Properties

Compound Name4-chloro-1-(2-ethylphenyl)butan-1-one
PubChem CID14910275
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name4-chloro-1-(2-ethylphenyl)butan-1-one
SMILESCCc1ccccc1C(=O)CCCCl
InChIInChI=1S/C12H15ClO/c1-2-10-6-3-4-7-11(10)12(14)8-5-9-13/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyUPJRWGSZBIVHOK-UHFFFAOYSA-N
XLogP3.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.45
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-ethylphenyl)pentan-1-one;pentane
CID 142147591
1-(2-ethylphenyl)-4-ethylsulfonylbutan-1-one
CID 114974508
2-methylpropyl 2-[2-(4-chlorobutanoyl)phenyl]acetate
CID 139707380
2-[2-(4-chlorobutanoyl)phenyl]-2-methylpropanoic acid
CID 18923749
2-(4-chlorobutanoyl)-N-decylbenzamide
CID 174407938
2-ethylbenzenecarbothioyl chloride
CID 23333077
1-(2-ethylphenyl)-2-[2-(2-ethylphenyl)-2-oxoethyl]sulfanylcarbonylsulfanylethanone
CID 155317146
4-chloro-1-(2-cyclobutylphenyl)butan-1-one
CID 114601922
1-(2-octadecylphenyl)butan-1-one
CID 174561443
2-ethylbenzoic acid;tungsten
CID 23518478
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one
CID 18626360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-ethylphenyl)butan-1-one?
The IUPAC name of 4-chloro-1-(2-ethylphenyl)butan-1-one (CID 14910275) is 4-chloro-1-(2-ethylphenyl)butan-1-one.
What is the SMILES notation for 4-chloro-1-(2-ethylphenyl)butan-1-one?
The canonical SMILES for 4-chloro-1-(2-ethylphenyl)butan-1-one is CCc1ccccc1C(=O)CCCCl.
What is the InChIKey of 4-chloro-1-(2-ethylphenyl)butan-1-one?
The InChIKey is UPJRWGSZBIVHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-2-10-6-3-4-7-11(10)12(14)8-5-9-13/h3-4,6-7H,2,5,8-9H2,1H3.
What are the key properties of 4-chloro-1-(2-ethylphenyl)butan-1-one?
4-chloro-1-(2-ethylphenyl)butan-1-one has a molecular weight of 210.70 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-ethylphenyl)butan-1-one is sourced from PubChem (CID 14910275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).