2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone

C13H10Cl2O2S — CID 81122836

IUPAC2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone
SMILESCOc1ccsc1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2O2S/c1-17-12-4-5-18-13(12)11(16)7-8-2-3-9(14)10(15)6-8/h2-6H,7H2,1H3
InChIKeyAMQBNHGKNYSJME-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.49
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone

2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone (PubChem CID 81122836) has the molecular formula C13H10Cl2O2S and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone
PubChem CID81122836
Molecular FormulaC13H10Cl2O2S
Molecular Weight301.19 g/mol
Exact Mass299.98
IUPAC Name2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone
SMILESCOc1ccsc1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2O2S/c1-17-12-4-5-18-13(12)11(16)7-8-2-3-9(14)10(15)6-8/h2-6H,7H2,1H3
InChIKeyAMQBNHGKNYSJME-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 80529728
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122443
2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 114967861
1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone
CID 80530028
3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one
CID 81118412
2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114964644
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone
CID 81122055
1-(3-methoxythiophen-2-yl)butan-1-one
CID 81118922
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62622130
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethanone
CID 114980597
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone (CID 81122836) is 2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone is COc1ccsc1C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone?
The InChIKey is AMQBNHGKNYSJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2S/c1-17-12-4-5-18-13(12)11(16)7-8-2-3-9(14)10(15)6-8/h2-6H,7H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone?
2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone has a molecular weight of 301.19 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone is sourced from PubChem (CID 81122836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).