2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one

C18H15ClO — CID 134848353

IUPAC2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one
SMILESC=C(c1ccccc1)C1(c2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C18H15ClO/c1-13(14-5-3-2-4-6-14)18(12-11-17(18)20)15-7-9-16(19)10-8-15/h2-10H,1,11-12H2
InChIKeyNZEHBXQWSFEPFU-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.65
Rot. Bonds3

About 2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one

2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one (PubChem CID 134848353) has the molecular formula C18H15ClO and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one
PubChem CID134848353
Molecular FormulaC18H15ClO
Molecular Weight282.77 g/mol
Exact Mass282.08
IUPAC Name2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one
SMILESC=C(c1ccccc1)C1(c2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C18H15ClO/c1-13(14-5-3-2-4-6-14)18(12-11-17(18)20)15-7-9-16(19)10-8-15/h2-10H,1,11-12H2
InChIKeyNZEHBXQWSFEPFU-UHFFFAOYSA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one?
The IUPAC name of 2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one (CID 134848353) is 2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one is C=C(c1ccccc1)C1(c2ccc(Cl)cc2)CCC1=O.
What is the InChIKey of 2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one?
The InChIKey is NZEHBXQWSFEPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO/c1-13(14-5-3-2-4-6-14)18(12-11-17(18)20)15-7-9-16(19)10-8-15/h2-10H,1,11-12H2.
What are the key properties of 2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one?
2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one has a molecular weight of 282.77 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one is sourced from PubChem (CID 134848353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).