1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one

C15H16O2S — CID 106790018

IUPAC1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one
SMILESCOc1cc(C)ccc1C(=O)CCc1ccsc1
InChIInChI=1S/C15H16O2S/c1-11-3-5-13(15(9-11)17-2)14(16)6-4-12-7-8-18-10-12/h3,5,7-10H,4,6H2,1-2H3
InChIKeyRFWORAYXAUQVMW-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.88
Rot. Bonds5

About 1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one

1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one (PubChem CID 106790018) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one
PubChem CID106790018
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one
SMILESCOc1cc(C)ccc1C(=O)CCc1ccsc1
InChIInChI=1S/C15H16O2S/c1-11-3-5-13(15(9-11)17-2)14(16)6-4-12-7-8-18-10-12/h3,5,7-10H,4,6H2,1-2H3
InChIKeyRFWORAYXAUQVMW-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone
CID 62504742
1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one
CID 114972180
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one
CID 42607666
1-(2-methoxy-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 114209847
1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 107502319
1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 105099908
1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one
CID 114972136
1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972087
1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 139808083
1-(4-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974372
1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 106864975

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one (CID 106790018) is 1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one is COc1cc(C)ccc1C(=O)CCc1ccsc1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is RFWORAYXAUQVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-11-3-5-13(15(9-11)17-2)14(16)6-4-12-7-8-18-10-12/h3,5,7-10H,4,6H2,1-2H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one?
1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 260.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 106790018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).