1-(4-chlorophenyl)-2,2-dimethylpropan-1-one

C11H13ClO — CID 11138050

IUPAC1-(4-chlorophenyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO/c1-11(2,3)10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChIKeyDKFLDXIDGFZMCL-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.57
Rot. Bonds1

About 1-(4-chlorophenyl)-2,2-dimethylpropan-1-one

1-(4-chlorophenyl)-2,2-dimethylpropan-1-one (PubChem CID 11138050) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2-dimethylpropan-1-one
PubChem CID11138050
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name1-(4-chlorophenyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO/c1-11(2,3)10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChIKeyDKFLDXIDGFZMCL-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2,2-dimethylpropan-1-one (CID 11138050) is 1-(4-chlorophenyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2,2-dimethylpropan-1-one?
The InChIKey is DKFLDXIDGFZMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-11(2,3)10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2,2-dimethylpropan-1-one?
1-(4-chlorophenyl)-2,2-dimethylpropan-1-one has a molecular weight of 196.68 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 11138050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).