2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride

C14H12Cl2OS — CID 117048938

IUPAC2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
SMILESCC(Cc1cccs1)(C(=O)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2OS/c1-14(13(16)17,9-12-3-2-8-18-12)10-4-6-11(15)7-5-10/h2-8H,9H2,1H3
InChIKeyDAWHMZOPJYZIFM-UHFFFAOYSA-N
MW299.22 g/mol
LogP4.67
Rot. Bonds4

About 2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride

2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride (PubChem CID 117048938) has the molecular formula C14H12Cl2OS and a molecular weight of 299.22 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
PubChem CID117048938
Molecular FormulaC14H12Cl2OS
Molecular Weight299.22 g/mol
Exact Mass298.00
IUPAC Name2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
SMILESCC(Cc1cccs1)(C(=O)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2OS/c1-14(13(16)17,9-12-3-2-8-18-12)10-4-6-11(15)7-5-10/h2-8H,9H2,1H3
InChIKeyDAWHMZOPJYZIFM-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048933
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride
CID 117048916
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 47317277
2-methyl-2-(2-nitrophenyl)-3-thiophen-2-ylpropanoyl chloride
CID 117048935
2-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)butanoic acid
CID 61001317
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
3-amino-3-methyl-4-thiophen-2-ylbutanoic acid
CID 83531714
ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate
CID 117048785
carbonochloridic acid;2-ethylthiophene
CID 88766829
2-(4-methoxyphenyl)-1-thiophen-2-ylpropan-2-ol
CID 65145347
(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid
CID 42051111
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 31970330

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The IUPAC name of 2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride (CID 117048938) is 2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The canonical SMILES for 2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride is CC(Cc1cccs1)(C(=O)Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The InChIKey is DAWHMZOPJYZIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2OS/c1-14(13(16)17,9-12-3-2-8-18-12)10-4-6-11(15)7-5-10/h2-8H,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride has a molecular weight of 299.22 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride is sourced from PubChem (CID 117048938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).