1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one

C15H16OS — CID 114973203

IUPAC1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one
SMILESCc1cccc(C(=O)CCc2cccs2)c1C
InChIInChI=1S/C15H16OS/c1-11-5-3-7-14(12(11)2)15(16)9-8-13-6-4-10-17-13/h3-7,10H,8-9H2,1-2H3
InChIKeySUMGZYXRBCZJAE-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.18
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one

1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one (PubChem CID 114973203) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one
PubChem CID114973203
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one
SMILESCc1cccc(C(=O)CCc2cccs2)c1C
InChIInChI=1S/C15H16OS/c1-11-5-3-7-14(12(11)2)15(16)9-8-13-6-4-10-17-13/h3-7,10H,8-9H2,1-2H3
InChIKeySUMGZYXRBCZJAE-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-methylphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973264
1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238
3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 114973258
1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one
CID 114973168
1-(2,3-dimethylphenyl)-4-methylpentan-1-one
CID 62548356
1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 63773682
2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate
CID 80712277
1-(2,3-dimethylphenyl)nonan-1-one
CID 112698774
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one
CID 116565761
3-methyl-2-[methyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 107112043
2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide
CID 24547272

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one (CID 114973203) is 1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one is Cc1cccc(C(=O)CCc2cccs2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is SUMGZYXRBCZJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-11-5-3-7-14(12(11)2)15(16)9-8-13-6-4-10-17-13/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one?
1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 244.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 114973203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).