1-(4-methoxy-2,6-dimethylphenyl)-3-propan-2-ylsulfanylpropan-1-one

C15H22O2S — CID 82053009

IUPAC1-(4-methoxy-2,6-dimethylphenyl)-3-propan-2-ylsulfanylpropan-1-one
SMILESCOc1cc(C)c(C(=O)CCSC(C)C)c(C)c1
InChIInChI=1S/C15H22O2S/c1-10(2)18-7-6-14(16)15-11(3)8-13(17-5)9-12(15)4/h8-10H,6-7H2,1-5H3
InChIKeyFGSIZBHSOCRCGZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.03
Rot. Bonds6

About 1-(4-methoxy-2,6-dimethylphenyl)-3-propan-2-ylsulfanylpropan-1-one

1-(4-methoxy-2,6-dimethylphenyl)-3-propan-2-ylsulfanylpropan-1-one (PubChem CID 82053009) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)-3-propan-2-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)-3-propan-2-ylsulfanylpropan-1-one
PubChem CID82053009
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)-3-propan-2-ylsulfanylpropan-1-one
SMILESCOc1cc(C)c(C(=O)CCSC(C)C)c(C)c1
InChIInChI=1S/C15H22O2S/c1-10(2)18-7-6-14(16)15-11(3)8-13(17-5)9-12(15)4/h8-10H,6-7H2,1-5H3
InChIKeyFGSIZBHSOCRCGZ-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methoxy-2-methylphenyl)-3-propan-2-ylsulfanylpropan-1-one
CID 82050632
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
2-chloro-1-(4-methoxy-2,6-dimethylphenyl)propan-1-one
CID 82048974
1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82136471
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
4-(2,4-dimethoxy-6-methylphenyl)-4-oxobutanenitrile
CID 116862133
4-methyl-3-(3-propan-2-ylsulfanylpropanoyl)benzoic acid
CID 82052206
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 10802865
1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylsulfanylpropan-1-one
CID 116830919
2-butan-2-yl-4-methoxy-6-methylbenzoic acid
CID 129157723
1-(2-bromo-4-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004198
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-3-propan-2-ylsulfanylpropan-1-one?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-3-propan-2-ylsulfanylpropan-1-one (CID 82053009) is 1-(4-methoxy-2,6-dimethylphenyl)-3-propan-2-ylsulfanylpropan-1-one.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)-3-propan-2-ylsulfanylpropan-1-one?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)-3-propan-2-ylsulfanylpropan-1-one is COc1cc(C)c(C(=O)CCSC(C)C)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)-3-propan-2-ylsulfanylpropan-1-one?
The InChIKey is FGSIZBHSOCRCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-10(2)18-7-6-14(16)15-11(3)8-13(17-5)9-12(15)4/h8-10H,6-7H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)-3-propan-2-ylsulfanylpropan-1-one?
1-(4-methoxy-2,6-dimethylphenyl)-3-propan-2-ylsulfanylpropan-1-one has a molecular weight of 266.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)-3-propan-2-ylsulfanylpropan-1-one is sourced from PubChem (CID 82053009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).