2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone

C14H13ClOS — CID 81157445

IUPAC2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone
SMILESCc1cc(C)c(C(=O)Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H13ClOS/c1-9-7-10(2)17-14(9)13(16)8-11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3
InChIKeyNDLNKONMJNNCMO-UHFFFAOYSA-N
MW264.78 g/mol
LogP4.44
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone

2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone (PubChem CID 81157445) has the molecular formula C14H13ClOS and a molecular weight of 264.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone
PubChem CID81157445
Molecular FormulaC14H13ClOS
Molecular Weight264.78 g/mol
Exact Mass264.04
IUPAC Name2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone
SMILESCc1cc(C)c(C(=O)Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H13ClOS/c1-9-7-10(2)17-14(9)13(16)8-11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3
InChIKeyNDLNKONMJNNCMO-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81157333
1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone
CID 102826685
2-(4-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60798390
4-(3,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 81157455
1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81323958
(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 82875204
1-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-phenylethanone
CID 146010828
3,5-dimethylthiophene-2-carboxylic acid
CID 819558
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
CID 105078086
1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone
CID 103407449
1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81110989

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone (CID 81157445) is 2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone is Cc1cc(C)c(C(=O)Cc2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone?
The InChIKey is NDLNKONMJNNCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClOS/c1-9-7-10(2)17-14(9)13(16)8-11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone?
2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone has a molecular weight of 264.78 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone is sourced from PubChem (CID 81157445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).