1-[4-methyl-5-(3-methylphenyl)thiophen-2-yl]propan-1-one

C15H16OS — CID 114998125

IUPAC1-[4-methyl-5-(3-methylphenyl)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1cc(C)c(-c2cccc(C)c2)s1
InChIInChI=1S/C15H16OS/c1-4-13(16)14-9-11(3)15(17-14)12-7-5-6-10(2)8-12/h5-9H,4H2,1-3H3
InChIKeySIWPYDGJOOGAPN-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.62
Rot. Bonds3

About 1-[4-methyl-5-(3-methylphenyl)thiophen-2-yl]propan-1-one

1-[4-methyl-5-(3-methylphenyl)thiophen-2-yl]propan-1-one (PubChem CID 114998125) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-[4-methyl-5-(3-methylphenyl)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-methyl-5-(3-methylphenyl)thiophen-2-yl]propan-1-one
PubChem CID114998125
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-[4-methyl-5-(3-methylphenyl)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1cc(C)c(-c2cccc(C)c2)s1
InChIInChI=1S/C15H16OS/c1-4-13(16)14-9-11(3)15(17-14)12-7-5-6-10(2)8-12/h5-9H,4H2,1-3H3
InChIKeySIWPYDGJOOGAPN-UHFFFAOYSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(3-methylphenyl)thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[4-methyl-5-(3-methylphenyl)thiophen-2-yl]propan-1-one (CID 114998125) is 1-[4-methyl-5-(3-methylphenyl)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[4-methyl-5-(3-methylphenyl)thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[4-methyl-5-(3-methylphenyl)thiophen-2-yl]propan-1-one is CCC(=O)c1cc(C)c(-c2cccc(C)c2)s1.
What is the InChIKey of 1-[4-methyl-5-(3-methylphenyl)thiophen-2-yl]propan-1-one?
The InChIKey is SIWPYDGJOOGAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-4-13(16)14-9-11(3)15(17-14)12-7-5-6-10(2)8-12/h5-9H,4H2,1-3H3.
What are the key properties of 1-[4-methyl-5-(3-methylphenyl)thiophen-2-yl]propan-1-one?
1-[4-methyl-5-(3-methylphenyl)thiophen-2-yl]propan-1-one has a molecular weight of 244.36 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 1-[4-methyl-5-(3-methylphenyl)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 114998125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).