2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone

C13H11ClO2S — CID 55096306

IUPAC2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C13H11ClO2S/c1-16-10-4-2-9(3-5-10)12(15)8-11-6-7-13(14)17-11/h2-7H,8H2,1H3
InChIKeyLFMAYTZEIGRHCD-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.84
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone

2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone (PubChem CID 55096306) has the molecular formula C13H11ClO2S and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone
PubChem CID55096306
Molecular FormulaC13H11ClO2S
Molecular Weight266.75 g/mol
Exact Mass266.02
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C13H11ClO2S/c1-16-10-4-2-9(3-5-10)12(15)8-11-6-7-13(14)17-11/h2-7H,8H2,1H3
InChIKeyLFMAYTZEIGRHCD-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone
CID 62622229
methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate
CID 55372452
2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 62608282
2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 114967457
1-(3-chlorothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967489
2-(5-ethylfuran-2-yl)-1-(4-methoxyphenyl)ethanone
CID 154926215
1-(3-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 62620401
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-ethoxyphenyl)ethanone
CID 62053237
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412
3-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 2797563
2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 82053413

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone (CID 55096306) is 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cc2ccc(Cl)s2)cc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is LFMAYTZEIGRHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2S/c1-16-10-4-2-9(3-5-10)12(15)8-11-6-7-13(14)17-11/h2-7H,8H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone?
2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 266.75 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 55096306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).