1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone

C18H18O2S — CID 114521180

IUPAC1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)c2cccc(OC3CC3)c2)cc1
InChIInChI=1S/C18H18O2S/c1-13-5-9-17(10-6-13)21-12-18(19)14-3-2-4-16(11-14)20-15-7-8-15/h2-6,9-11,15H,7-8,12H2,1H3
InChIKeyJICKABZPPBGXFP-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.51
Rot. Bonds6

About 1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone

1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone (PubChem CID 114521180) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone
PubChem CID114521180
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)c2cccc(OC3CC3)c2)cc1
InChIInChI=1S/C18H18O2S/c1-13-5-9-17(10-6-13)21-12-18(19)14-3-2-4-16(11-14)20-15-7-8-15/h2-6,9-11,15H,7-8,12H2,1H3
InChIKeyJICKABZPPBGXFP-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone
CID 114521176
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
CID 114521119
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
CID 114523847
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
CID 43802304
1-(3-cyclopropyloxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114521120
1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone
CID 43802265
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
(3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115813197

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone (CID 114521180) is 1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone is Cc1ccc(SCC(=O)c2cccc(OC3CC3)c2)cc1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is JICKABZPPBGXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S/c1-13-5-9-17(10-6-13)21-12-18(19)14-3-2-4-16(11-14)20-15-7-8-15/h2-6,9-11,15H,7-8,12H2,1H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 298.41 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone is sourced from PubChem (CID 114521180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).