(2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one

C10H8Cl2O — CID 125483612

IUPAC(2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one
SMILESO=C1CC[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2O/c11-6-1-2-7(9(12)5-6)8-3-4-10(8)13/h1-2,5,8H,3-4H2/t8-/m0/s1
InChIKeyZKERQVAHTQJYLP-QMMMGPOBSA-N
MW215.08 g/mol
LogP3.44
Rot. Bonds1

About (2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one

(2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one (PubChem CID 125483612) has the molecular formula C10H8Cl2O and a molecular weight of 215.08 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one
PubChem CID125483612
Molecular FormulaC10H8Cl2O
Molecular Weight215.08 g/mol
Exact Mass214.00
IUPAC Name(2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one
SMILESO=C1CC[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2O/c11-6-1-2-7(9(12)5-6)8-3-4-10(8)13/h1-2,5,8H,3-4H2/t8-/m0/s1
InChIKeyZKERQVAHTQJYLP-QMMMGPOBSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one?
The IUPAC name of (2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one (CID 125483612) is (2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one?
The canonical SMILES for (2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one is O=C1CC[C@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one?
The InChIKey is ZKERQVAHTQJYLP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H8Cl2O/c11-6-1-2-7(9(12)5-6)8-3-4-10(8)13/h1-2,5,8H,3-4H2/t8-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one?
(2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one has a molecular weight of 215.08 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one is sourced from PubChem (CID 125483612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).