1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone

C13H11ClO2S — CID 80530028

IUPAC1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2sccc2Cl)cc1
InChIInChI=1S/C13H11ClO2S/c1-16-10-4-2-9(3-5-10)8-12(15)13-11(14)6-7-17-13/h2-7H,8H2,1H3
InChIKeyKZNPVCOKJQDSME-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.84
Rot. Bonds4

About 1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone

1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone (PubChem CID 80530028) has the molecular formula C13H11ClO2S and a molecular weight of 266.75 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone
PubChem CID80530028
Molecular FormulaC13H11ClO2S
Molecular Weight266.75 g/mol
Exact Mass266.02
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2sccc2Cl)cc1
InChIInChI=1S/C13H11ClO2S/c1-16-10-4-2-9(3-5-10)8-12(15)13-11(14)6-7-17-13/h2-7H,8H2,1H3
InChIKeyKZNPVCOKJQDSME-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-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone
CID 114973583
1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 80529728
2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122836
2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 114967861
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
CID 43167322
(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 80645338
1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 115786172
3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one
CID 81118412
(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80644949
1-(3-chlorothiophen-2-yl)-4-methoxy-3-methylbutan-1-one
CID 107361618
1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone
CID 114268991
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone (CID 80530028) is 1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2sccc2Cl)cc1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is KZNPVCOKJQDSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2S/c1-16-10-4-2-9(3-5-10)8-12(15)13-11(14)6-7-17-13/h2-7H,8H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone?
1-(3-chlorothiophen-2-yl)-2-(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 1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 80530028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).