1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone

C18H20O2S — CID 106679998

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone
SMILESCOc1cc(C)cc(C)c1C(=O)CSc1ccc(C)cc1
InChIInChI=1S/C18H20O2S/c1-12-5-7-15(8-6-12)21-11-16(19)18-14(3)9-13(2)10-17(18)20-4/h5-10H,11H2,1-4H3
InChIKeyYENHFQKOCMESPK-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.60
Rot. Bonds5

About 1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone

1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone (PubChem CID 106679998) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone
PubChem CID106679998
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone
SMILESCOc1cc(C)cc(C)c1C(=O)CSc1ccc(C)cc1
InChIInChI=1S/C18H20O2S/c1-12-5-7-15(8-6-12)21-11-16(19)18-14(3)9-13(2)10-17(18)20-4/h5-10H,11H2,1-4H3
InChIKeyYENHFQKOCMESPK-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 116810019
1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone
CID 106679943
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43426355
2-phenylsulfanyl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191547
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
4-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)butan-1-one
CID 96659252
2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 43413772
1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106681968
1-(2-methoxy-4,6-dimethylphenyl)-3-(methylamino)propan-1-one
CID 96672338
2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106679903
1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802208
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone (CID 106679998) is 1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone is COc1cc(C)cc(C)c1C(=O)CSc1ccc(C)cc1.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is YENHFQKOCMESPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2S/c1-12-5-7-15(8-6-12)21-11-16(19)18-14(3)9-13(2)10-17(18)20-4/h5-10H,11H2,1-4H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone?
1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 300.42 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone is sourced from PubChem (CID 106679998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).