2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone

C17H20O3S — CID 82050436

IUPAC2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone
SMILESCC(C)COc1ccc(C(=O)CSCc2ccco2)cc1
InChIInChI=1S/C17H20O3S/c1-13(2)10-20-15-7-5-14(6-8-15)17(18)12-21-11-16-4-3-9-19-16/h3-9,13H,10-12H2,1-2H3
InChIKeyOZZUXRPYIXVUPH-UHFFFAOYSA-N
MW304.41 g/mol
LogP4.43
Rot. Bonds8

About 2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone

2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone (PubChem CID 82050436) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone
PubChem CID82050436
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone
SMILESCC(C)COc1ccc(C(=O)CSCc2ccco2)cc1
InChIInChI=1S/C17H20O3S/c1-13(2)10-20-15-7-5-14(6-8-15)17(18)12-21-11-16-4-3-9-19-16/h3-9,13H,10-12H2,1-2H3
InChIKeyOZZUXRPYIXVUPH-UHFFFAOYSA-N
XLogP4.43
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone
CID 82050332
1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
CID 43412900
4-[2-(furan-2-ylmethylsulfanyl)acetyl]benzonitrile
CID 43225023
[4-(furan-2-carbonyl)piperazin-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 38911250
1-(4-ethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412755
N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide
CID 55452898
2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
CID 112780782
2-(furan-2-ylmethylsulfanyl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 82052639
2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 78828363
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
2-methylpropyl 2-(furan-2-yl)acetate
CID 156705031
3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 105097418

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone (CID 82050436) is 2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone is CC(C)COc1ccc(C(=O)CSCc2ccco2)cc1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone?
The InChIKey is OZZUXRPYIXVUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3S/c1-13(2)10-20-15-7-5-14(6-8-15)17(18)12-21-11-16-4-3-9-19-16/h3-9,13H,10-12H2,1-2H3.
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone?
2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone has a molecular weight of 304.41 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone is sourced from PubChem (CID 82050436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).