cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone

C16H16OS — CID 43154038

IUPACcyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone
SMILESCc1cccc(-c2ccc(C(=O)C3CC3)s2)c1C
InChIInChI=1S/C16H16OS/c1-10-4-3-5-13(11(10)2)14-8-9-15(18-14)16(17)12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3
InChIKeyDHQRDWLZEPKWJQ-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.62
Rot. Bonds3

About cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone

cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone (PubChem CID 43154038) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone
PubChem CID43154038
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Namecyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone
SMILESCc1cccc(-c2ccc(C(=O)C3CC3)s2)c1C
InChIInChI=1S/C16H16OS/c1-10-4-3-5-13(11(10)2)14-8-9-15(18-14)16(17)12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3
InChIKeyDHQRDWLZEPKWJQ-UHFFFAOYSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone
CID 43808672
[5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone
CID 63400597
5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid
CID 43153970
1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 43287604
cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone
CID 43154050
5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid
CID 84720733
[5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone
CID 116785248
1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one
CID 114254899
(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
CID 65392680
cyclopropyl-(2-fluoro-3-methylphenyl)methanone
CID 70266703
[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone
CID 81266983
[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone
CID 43331776

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone?
The IUPAC name of cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone (CID 43154038) is cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone?
The canonical SMILES for cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone is Cc1cccc(-c2ccc(C(=O)C3CC3)s2)c1C.
What is the InChIKey of cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone?
The InChIKey is DHQRDWLZEPKWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c1-10-4-3-5-13(11(10)2)14-8-9-15(18-14)16(17)12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3.
What are the key properties of cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone?
cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone has a molecular weight of 256.37 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 43154038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).