2,2-bis(4-chlorophenyl)cyclobutan-1-one

C16H12Cl2O — CID 11197059

IUPAC2,2-bis(4-chlorophenyl)cyclobutan-1-one
SMILESO=C1CCC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2O/c17-13-5-1-11(2-6-13)16(10-9-15(16)19)12-3-7-14(18)8-4-12/h1-8H,9-10H2
InChIKeyAWBBVCBCPNSGAW-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.64
Rot. Bonds2

About 2,2-bis(4-chlorophenyl)cyclobutan-1-one

2,2-bis(4-chlorophenyl)cyclobutan-1-one (PubChem CID 11197059) has the molecular formula C16H12Cl2O and a molecular weight of 291.18 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)cyclobutan-1-one.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)cyclobutan-1-one
PubChem CID11197059
Molecular FormulaC16H12Cl2O
Molecular Weight291.18 g/mol
Exact Mass290.03
IUPAC Name2,2-bis(4-chlorophenyl)cyclobutan-1-one
SMILESO=C1CCC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2O/c17-13-5-1-11(2-6-13)16(10-9-15(16)19)12-3-7-14(18)8-4-12/h1-8H,9-10H2
InChIKeyAWBBVCBCPNSGAW-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)cyclobutan-1-one?
The IUPAC name of 2,2-bis(4-chlorophenyl)cyclobutan-1-one (CID 11197059) is 2,2-bis(4-chlorophenyl)cyclobutan-1-one.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)cyclobutan-1-one?
The canonical SMILES for 2,2-bis(4-chlorophenyl)cyclobutan-1-one is O=C1CCC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2,2-bis(4-chlorophenyl)cyclobutan-1-one?
The InChIKey is AWBBVCBCPNSGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O/c17-13-5-1-11(2-6-13)16(10-9-15(16)19)12-3-7-14(18)8-4-12/h1-8H,9-10H2.
What are the key properties of 2,2-bis(4-chlorophenyl)cyclobutan-1-one?
2,2-bis(4-chlorophenyl)cyclobutan-1-one has a molecular weight of 291.18 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)cyclobutan-1-one is sourced from PubChem (CID 11197059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).