2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone

C15H22O2S — CID 43799096

IUPAC2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)COC(C)CC(C)C)cc1
InChIInChI=1S/C15H22O2S/c1-11(2)9-12(3)17-10-15(16)13-5-7-14(18-4)8-6-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyZZXVEZIIXZAWQU-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.04
Rot. Bonds7

About 2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone

2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 43799096) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone
PubChem CID43799096
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)COC(C)CC(C)C)cc1
InChIInChI=1S/C15H22O2S/c1-11(2)9-12(3)17-10-15(16)13-5-7-14(18-4)8-6-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyZZXVEZIIXZAWQU-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone
CID 102722519
1-(3,4-dimethylphenyl)-2-(4-methylpentan-2-yloxy)ethanone
CID 43799075
2-butan-2-yloxy-1-(4-fluorophenyl)ethanone
CID 60902739
1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624163
2-butan-2-yloxy-1-(4-chlorophenyl)ethanone
CID 60902738
butan-2-yl 4-methylsulfanylbenzoate
CID 91724987
methyl (3S)-3-methyl-5-(4-methylsulfanylphenyl)-5-oxopentanoate
CID 97293336
2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone
CID 62785613
1,9-bis(4-methylsulfanylphenyl)nonane-1,9-dione
CID 18183648
2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 43795913
3-(4-methylsulfanylphenyl)-3-oxopropanenitrile
CID 79214701
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8994629

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone (CID 43799096) is 2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone is CSc1ccc(C(=O)COC(C)CC(C)C)cc1.
What is the InChIKey of 2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is ZZXVEZIIXZAWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-11(2)9-12(3)17-10-15(16)13-5-7-14(18-4)8-6-13/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone?
2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 266.41 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 43799096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).