1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone

C12H14O2S — CID 114521119

IUPAC1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C12H14O2S/c1-15-8-12(13)9-3-2-4-11(7-9)14-10-5-6-10/h2-4,7,10H,5-6,8H2,1H3
InChIKeyCMMRGMDAJUAANB-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.77
Rot. Bonds5

About 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone

1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone (PubChem CID 114521119) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
PubChem CID114521119
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Name1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C12H14O2S/c1-15-8-12(13)9-3-2-4-11(7-9)14-10-5-6-10/h2-4,7,10H,5-6,8H2,1H3
InChIKeyCMMRGMDAJUAANB-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 114521180
2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone
CID 114521176
4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
CID 114523847
1-(3-cyclopropyloxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114521120
3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one
CID 114523846
1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114521136
1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446837
1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one
CID 105134475
1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one
CID 105134432
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone (CID 114521119) is 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone is CSCC(=O)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone?
The InChIKey is CMMRGMDAJUAANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c1-15-8-12(13)9-3-2-4-11(7-9)14-10-5-6-10/h2-4,7,10H,5-6,8H2,1H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone?
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone has a molecular weight of 222.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone is sourced from PubChem (CID 114521119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).