1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one

C15H16O2S — CID 55078933

IUPAC1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one
SMILESCOc1ccc(C)cc1CC(=O)Cc1cccs1
InChIInChI=1S/C15H16O2S/c1-11-5-6-15(17-2)12(8-11)9-13(16)10-14-4-3-7-18-14/h3-8H,9-10H2,1-2H3
InChIKeyXYVBKFYUVNVJCN-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.42
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one

1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one (PubChem CID 55078933) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one
PubChem CID55078933
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one
SMILESCOc1ccc(C)cc1CC(=O)Cc1cccs1
InChIInChI=1S/C15H16O2S/c1-11-5-6-15(17-2)12(8-11)9-13(16)10-14-4-3-7-18-14/h3-8H,9-10H2,1-2H3
InChIKeyXYVBKFYUVNVJCN-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802590
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195
N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide
CID 9318540
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62501355
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802544
1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one
CID 62159649
N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432805
1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride
CID 24846487
2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24682654
1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 116555445
1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965782

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one (CID 55078933) is 1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one is COc1ccc(C)cc1CC(=O)Cc1cccs1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one?
The InChIKey is XYVBKFYUVNVJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-11-5-6-15(17-2)12(8-11)9-13(16)10-14-4-3-7-18-14/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one?
1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one has a molecular weight of 260.36 g/mol, XLogP of 3.42, 5 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)-3-thiophen-2-ylpropan-2-one is sourced from PubChem (CID 55078933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).