1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone

C17H18O3S — CID 116810019

IUPAC1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
SMILESCOc1cccc(OC)c1C(=O)CSc1ccc(C)cc1
InChIInChI=1S/C17H18O3S/c1-12-7-9-13(10-8-12)21-11-14(18)17-15(19-2)5-4-6-16(17)20-3/h4-10H,11H2,1-3H3
InChIKeyRNBXBUXFQPPCQG-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.99
Rot. Bonds6

About 1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone

1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone (PubChem CID 116810019) has the molecular formula C17H18O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
PubChem CID116810019
Molecular FormulaC17H18O3S
Molecular Weight302.40 g/mol
Exact Mass302.10
IUPAC Name1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
SMILESCOc1cccc(OC)c1C(=O)CSc1ccc(C)cc1
InChIInChI=1S/C17H18O3S/c1-12-7-9-13(10-8-12)21-11-14(18)17-15(19-2)5-4-6-16(17)20-3/h4-10H,11H2,1-3H3
InChIKeyRNBXBUXFQPPCQG-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 106679998
1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802208
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 104793475
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43426355
2-phenylsulfanyl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191547
2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22780728
1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802210
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 43909023
1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone
CID 82808492
2-(3,4-dimethoxyphenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
CID 18277843
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43218654
1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 116809971

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone (CID 116810019) is 1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone is COc1cccc(OC)c1C(=O)CSc1ccc(C)cc1.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is RNBXBUXFQPPCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3S/c1-12-7-9-13(10-8-12)21-11-14(18)17-15(19-2)5-4-6-16(17)20-3/h4-10H,11H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 302.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone is sourced from PubChem (CID 116810019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).