1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one

C15H15ClO — CID 79601820

IUPAC1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H15ClO/c1-15(2,3)14(17)12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKeyWZOLDGLJDJLECA-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.72
Rot. Bonds1

About 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one

1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 79601820) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one
PubChem CID79601820
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H15ClO/c1-15(2,3)14(17)12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKeyWZOLDGLJDJLECA-UHFFFAOYSA-N
XLogP4.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloronaphthalen-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 79597299
(4-chloronaphthalene-1-carbonyl) 4-chloronaphthalene-1-carboxylate
CID 57061694
methyl 2-(4-chloronaphthalen-1-yl)-2-oxoacetate
CID 112616492
1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone
CID 103513654
(4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone
CID 79591122
2,2-dimethyl-1-quinolin-4-ylpropan-1-one
CID 12913278
1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one
CID 11586385
(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591374
1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one
CID 101237922
(4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone
CID 79596882
(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591394
(4-chloronaphthalen-1-yl)-(furan-2-yl)methanone
CID 79601314

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one (CID 79601820) is 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is WZOLDGLJDJLECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-15(2,3)14(17)12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9H,1-3H3.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one?
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 246.74 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 79601820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).