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

C14H13ClO2S — CID 117048933

IUPAC2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
SMILESCC(Cc1cccs1)(C(=O)Cl)c1ccc(O)cc1
InChIInChI=1S/C14H13ClO2S/c1-14(13(15)17,9-12-3-2-8-18-12)10-4-6-11(16)7-5-10/h2-8,16H,9H2,1H3
InChIKeyRIGULZAEMAXEIM-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.72
Rot. Bonds4

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

2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride (PubChem CID 117048933) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
PubChem CID117048933
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
SMILESCC(Cc1cccs1)(C(=O)Cl)c1ccc(O)cc1
InChIInChI=1S/C14H13ClO2S/c1-14(13(15)17,9-12-3-2-8-18-12)10-4-6-11(16)7-5-10/h2-8,16H,9H2,1H3
InChIKeyRIGULZAEMAXEIM-UHFFFAOYSA-N
XLogP3.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048938
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropanoyl chloride
CID 117048916
2-methyl-2-(2-nitrophenyl)-3-thiophen-2-ylpropanoyl chloride
CID 117048935
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
4-(thiophen-2-ylmethyl)phenol
CID 605440
3-amino-3-methyl-1-thiophen-2-ylbutan-2-one
CID 57051031
3,3-dimethyl-1-(thiophen-2-ylmethoxy)butan-2-one
CID 62034187
thiophen-2-ylmethyl 3-amino-3-methylbutanoate
CID 64701985

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The IUPAC name of 2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride (CID 117048933) is 2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride is CC(Cc1cccs1)(C(=O)Cl)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The InChIKey is RIGULZAEMAXEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-14(13(15)17,9-12-3-2-8-18-12)10-4-6-11(16)7-5-10/h2-8,16H,9H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride has a molecular weight of 280.78 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride is sourced from PubChem (CID 117048933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).