2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone

C15H22OS — CID 43412801

IUPAC2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)CSCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H22OS/c1-11(2)9-17-10-15(16)14-7-5-13(6-8-14)12(3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyHQYPFPGQVVMAIA-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.38
Rot. Bonds6

About 2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone

2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 43412801) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID43412801
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)CSCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H22OS/c1-11(2)9-17-10-15(16)14-7-5-13(6-8-14)12(3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyHQYPFPGQVVMAIA-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412794
2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanylacetic acid
CID 146004506
1-(4-tert-butylphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 60625119
1-(4-ethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412755
2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43218705
1-(3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412803
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43413042
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084
2-(2-methylpropylsulfanyl)-1-pyrimidin-5-ylethanone
CID 65138403
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43412043
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412758

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone (CID 43412801) is 2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone is CC(C)CSCC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is HQYPFPGQVVMAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-11(2)9-17-10-15(16)14-7-5-13(6-8-14)12(3)4/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone?
2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 250.41 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 43412801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).