1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one

C15H19ClO — CID 53445903

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H19ClO/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12/h4-7,11H,3,8-10H2,1-2H3
InChIKeyFIYKEZSYKZRWDU-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.38
Rot. Bonds4

About 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one

1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one (PubChem CID 53445903) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one
PubChem CID53445903
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H19ClO/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12/h4-7,11H,3,8-10H2,1-2H3
InChIKeyFIYKEZSYKZRWDU-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one (CID 53445903) is 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one is CC(C)CC(=O)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one?
The InChIKey is FIYKEZSYKZRWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one?
1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one has a molecular weight of 250.77 g/mol, XLogP of 4.38, 4 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]-3-methylbutan-1-one is sourced from PubChem (CID 53445903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).