(2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone

C12H8Cl2OS — CID 114976016

IUPAC(2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2c(Cl)cccc2Cl)cs1
InChIInChI=1S/C12H8Cl2OS/c1-7-5-8(6-16-7)12(15)11-9(13)3-2-4-10(11)14/h2-6H,1H3
InChIKeyQOMLVYUJADOHIG-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.59
Rot. Bonds2

About (2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone

(2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone (PubChem CID 114976016) has the molecular formula C12H8Cl2OS and a molecular weight of 271.17 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
PubChem CID114976016
Molecular FormulaC12H8Cl2OS
Molecular Weight271.17 g/mol
Exact Mass269.97
IUPAC Name(2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2c(Cl)cccc2Cl)cs1
InChIInChI=1S/C12H8Cl2OS/c1-7-5-8(6-16-7)12(15)11-9(13)3-2-4-10(11)14/h2-6H,1H3
InChIKeyQOMLVYUJADOHIG-UHFFFAOYSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 65099409
(2,4-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114975995
2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone
CID 82802930
(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976021
(2-methylphenyl)-(5-methylthiophen-3-yl)methanone
CID 65099870
(3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 105106195
(2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 12750547
(2-iodophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976064
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337573
N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
CID 1246739
1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone
CID 114976116

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone (CID 114976016) is (2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)c2c(Cl)cccc2Cl)cs1.
What is the InChIKey of (2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is QOMLVYUJADOHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2OS/c1-7-5-8(6-16-7)12(15)11-9(13)3-2-4-10(11)14/h2-6H,1H3.
What are the key properties of (2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone?
(2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone has a molecular weight of 271.17 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 114976016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).