1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone

C14H14O2S — CID 62504742

IUPAC1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone
SMILESCOc1ccc(C)cc1C(=O)Cc1ccsc1
InChIInChI=1S/C14H14O2S/c1-10-3-4-14(16-2)12(7-10)13(15)8-11-5-6-17-9-11/h3-7,9H,8H2,1-2H3
InChIKeyULJPGDDKWIJDKH-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.49
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone

1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone (PubChem CID 62504742) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone
PubChem CID62504742
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone
SMILESCOc1ccc(C)cc1C(=O)Cc1ccsc1
InChIInChI=1S/C14H14O2S/c1-10-3-4-14(16-2)12(7-10)13(15)8-11-5-6-17-9-11/h3-7,9H,8H2,1-2H3
InChIKeyULJPGDDKWIJDKH-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one
CID 106790018
1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 115786541
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone
CID 65307868
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxy-5-methylphenyl)ethanone
CID 115789523
1-(2-methoxy-5-methylphenyl)pentane-1,4-dione
CID 94682943
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate
CID 7765424
2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 9190925
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 115795319
N-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide
CID 17419618
1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone
CID 105091097

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone (CID 62504742) is 1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone is COc1ccc(C)cc1C(=O)Cc1ccsc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone?
The InChIKey is ULJPGDDKWIJDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-10-3-4-14(16-2)12(7-10)13(15)8-11-5-6-17-9-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone?
1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone has a molecular weight of 246.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 62504742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).