2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone

C16H18O3S — CID 82050332

IUPAC2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CSCc2ccco2)cc1
InChIInChI=1S/C16H18O3S/c1-2-9-18-14-7-5-13(6-8-14)16(17)12-20-11-15-4-3-10-19-15/h3-8,10H,2,9,11-12H2,1H3
InChIKeyBMQLZNHIZXPJRF-UHFFFAOYSA-N
MW290.38 g/mol
LogP4.18
Rot. Bonds8

About 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone

2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone (PubChem CID 82050332) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone
PubChem CID82050332
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CSCc2ccco2)cc1
InChIInChI=1S/C16H18O3S/c1-2-9-18-14-7-5-13(6-8-14)16(17)12-20-11-15-4-3-10-19-15/h3-8,10H,2,9,11-12H2,1H3
InChIKeyBMQLZNHIZXPJRF-UHFFFAOYSA-N
XLogP4.18
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone
CID 82050436
1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
CID 43412900
4-[2-(furan-2-ylmethylsulfanyl)acetyl]benzonitrile
CID 43225023
1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione
CID 43321190
2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64609270
2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone
CID 65133875
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-propoxybenzamide
CID 18118956
N-(furan-2-ylmethyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112775334
1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
CID 82050687
N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-4-propoxybenzamide
CID 19243761
N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide
CID 35181958
2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone
CID 66139748

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone (CID 82050332) is 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone is CCCOc1ccc(C(=O)CSCc2ccco2)cc1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone?
The InChIKey is BMQLZNHIZXPJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-2-9-18-14-7-5-13(6-8-14)16(17)12-20-11-15-4-3-10-19-15/h3-8,10H,2,9,11-12H2,1H3.
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone?
2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone has a molecular weight of 290.38 g/mol, XLogP of 4.18, 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-propoxyphenyl)ethanone is sourced from PubChem (CID 82050332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).