2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone

C15H22O2S — CID 107771489

IUPAC2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CSC(C)C(C)O)cc1
InChIInChI=1S/C15H22O2S/c1-4-5-13-6-8-14(9-7-13)15(17)10-18-12(3)11(2)16/h6-9,11-12,16H,4-5,10H2,1-3H3
InChIKeyINKLTCKJJUMTBK-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.32
Rot. Bonds7

About 2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone

2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone (PubChem CID 107771489) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone
PubChem CID107771489
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CSC(C)C(C)O)cc1
InChIInChI=1S/C15H22O2S/c1-4-5-13-6-8-14(9-7-13)15(17)10-18-12(3)11(2)16/h6-9,11-12,16H,4-5,10H2,1-3H3
InChIKeyINKLTCKJJUMTBK-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-oxo-2-(4-propylphenyl)ethyl]sulfanylacetate
CID 43414117
2-methyl-1-(4-propylphenyl)propan-1-one
CID 14770313
1-(4-propylphenyl)decan-1-one
CID 65449493
2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone
CID 115569345
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
1-(4-butylphenyl)-3-methylbutan-1-one
CID 43160107
1-[4-(4-propylphenyl)phenyl]pentan-1-one
CID 142331606
2-ethylsulfanyl-1-(4-hexylphenyl)ethanone
CID 82050314
2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone
CID 43795164
2-(oxetan-3-ylsulfanyl)-1-(4-propylphenyl)ethanone
CID 79326641
2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone
CID 64640317

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone (CID 107771489) is 2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)CSC(C)C(C)O)cc1.
What is the InChIKey of 2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone?
The InChIKey is INKLTCKJJUMTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-4-5-13-6-8-14(9-7-13)15(17)10-18-12(3)11(2)16/h6-9,11-12,16H,4-5,10H2,1-3H3.
What are the key properties of 2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone?
2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone has a molecular weight of 266.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 107771489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).