1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one

C15H15ClOS — CID 102762770

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one
SMILESCc1cc(C(=O)C(C)(C)c2ccccc2)sc1Cl
InChIInChI=1S/C15H15ClOS/c1-10-9-12(18-14(10)16)13(17)15(2,3)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKeyNICUJQCGHDQDCS-UHFFFAOYSA-N
MW278.80 g/mol
LogP4.87
Rot. Bonds3

About 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one

1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one (PubChem CID 102762770) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one
PubChem CID102762770
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one
SMILESCc1cc(C(=O)C(C)(C)c2ccccc2)sc1Cl
InChIInChI=1S/C15H15ClOS/c1-10-9-12(18-14(10)16)13(17)15(2,3)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKeyNICUJQCGHDQDCS-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 102762845
4-(5-chloro-4-methylthiophen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 102763256
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one
CID 43160394
1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763000
2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone
CID 102762735
1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one
CID 107475705
1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one
CID 63084504
methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate
CID 82885819
1-phenyl-1-(2,4,5-trimethylphenyl)ethanol
CID 64985168
2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one
CID 116563850
3-bicyclo[3.1.0]hexanyl-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762899
1-(5-chloro-4-methylthiophen-2-yl)-3,5,5-trimethylhexan-1-one
CID 102762930

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one (CID 102762770) is 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one is Cc1cc(C(=O)C(C)(C)c2ccccc2)sc1Cl.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one?
The InChIKey is NICUJQCGHDQDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS/c1-10-9-12(18-14(10)16)13(17)15(2,3)11-7-5-4-6-8-11/h4-9H,1-3H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one?
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one has a molecular weight of 278.80 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 102762770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).