(4-chlorophenyl)-(4-methylthiophen-3-yl)methanone

C12H9ClOS — CID 79803147

IUPAC(4-chlorophenyl)-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClOS/c1-8-6-15-7-11(8)12(14)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKeyKZCLLEFELNGVLI-UHFFFAOYSA-N
MW236.72 g/mol
LogP3.94
Rot. Bonds2

About (4-chlorophenyl)-(4-methylthiophen-3-yl)methanone

(4-chlorophenyl)-(4-methylthiophen-3-yl)methanone (PubChem CID 79803147) has the molecular formula C12H9ClOS and a molecular weight of 236.72 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-methylthiophen-3-yl)methanone
PubChem CID79803147
Molecular FormulaC12H9ClOS
Molecular Weight236.72 g/mol
Exact Mass236.01
IUPAC Name(4-chlorophenyl)-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClOS/c1-8-6-15-7-11(8)12(14)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKeyKZCLLEFELNGVLI-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-(4-methylthiophen-3-yl)methanone
CID 79803148
(3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone
CID 107559906
(4-ethylphenyl)-(4-methylthiophen-3-yl)methanone
CID 79803234
(4-benzylphenyl)-(4-methylthiophen-3-yl)methanone
CID 79812478
N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide
CID 79802964
(2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone
CID 79802242
(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 65099409
(4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752670
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
(4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 115604683
3-(4-chlorobenzoyl)-5,6-dimethylpyridine-2-carboxylic acid
CID 168886977
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(4-methylthiophen-3-yl)methanone
CID 79803151

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-methylthiophen-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-methylthiophen-3-yl)methanone (CID 79803147) is (4-chlorophenyl)-(4-methylthiophen-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-methylthiophen-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-methylthiophen-3-yl)methanone is Cc1cscc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(4-methylthiophen-3-yl)methanone?
The InChIKey is KZCLLEFELNGVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOS/c1-8-6-15-7-11(8)12(14)9-2-4-10(13)5-3-9/h2-7H,1H3.
What are the key properties of (4-chlorophenyl)-(4-methylthiophen-3-yl)methanone?
(4-chlorophenyl)-(4-methylthiophen-3-yl)methanone has a molecular weight of 236.72 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-methylthiophen-3-yl)methanone is sourced from PubChem (CID 79803147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).