1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one

C13H15ClO — CID 13083375

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
SMILESCC(=O)CC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C13H15ClO/c1-10(15)9-13(7-2-8-13)11-3-5-12(14)6-4-11/h3-6H,2,7-9H2,1H3
InChIKeyXPOVVLMSMQCITO-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.74
Rot. Bonds3

About 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one

1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one (PubChem CID 13083375) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
PubChem CID13083375
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
SMILESCC(=O)CC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C13H15ClO/c1-10(15)9-13(7-2-8-13)11-3-5-12(14)6-4-11/h3-6H,2,7-9H2,1H3
InChIKeyXPOVVLMSMQCITO-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

P-Chloroacetophenone
CID 7467
4'-Chloropropiophenone
CID 22697
1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone
CID 94617
Benzeneacetonitrile, alpha-acetyl-4-chloro-
CID 21280
4-Chlorobenzalpinacolone
CID 5388510
1-(4-Chlorophenyl)-2-methylpropan-1-one
CID 72865
4'-Chlorobutyrophenone
CID 70321
1-(p-Chlorophenyl)acetone
CID 79699
4'-Chlorovalerophenone
CID 90686
4-(4-Chlorophenyl)butan-2-one
CID 219277
1-(2-Chlorophenyl)propan-2-one
CID 229355
4'-Chlorohexanophenone
CID 458187

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one (CID 13083375) is 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one is CC(=O)CC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one?
The InChIKey is XPOVVLMSMQCITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c1-10(15)9-13(7-2-8-13)11-3-5-12(14)6-4-11/h3-6H,2,7-9H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one?
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one has a molecular weight of 222.72 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one is sourced from PubChem (CID 13083375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).