2-(3-phenoxypropylsulfanylmethyl)furan

C14H16O2S — CID 78846523

IUPAC2-(3-phenoxypropylsulfanylmethyl)furan
SMILESc1ccc(OCCCSCc2ccco2)cc1
InChIInChI=1S/C14H16O2S/c1-2-6-13(7-3-1)15-10-5-11-17-12-14-8-4-9-16-14/h1-4,6-9H,5,10-12H2
InChIKeyFLOTUIMRQANAGC-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.98
Rot. Bonds7

About 2-(3-phenoxypropylsulfanylmethyl)furan

2-(3-phenoxypropylsulfanylmethyl)furan (PubChem CID 78846523) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(3-phenoxypropylsulfanylmethyl)furan.

Molecular Properties

Compound Name2-(3-phenoxypropylsulfanylmethyl)furan
PubChem CID78846523
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name2-(3-phenoxypropylsulfanylmethyl)furan
SMILESc1ccc(OCCCSCc2ccco2)cc1
InChIInChI=1S/C14H16O2S/c1-2-6-13(7-3-1)15-10-5-11-17-12-14-8-4-9-16-14/h1-4,6-9H,5,10-12H2
InChIKeyFLOTUIMRQANAGC-UHFFFAOYSA-N
XLogP3.98
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(furan-2-ylmethylsulfanyl)propoxy]benzoic acid
CID 63100318
2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan
CID 78761640
tert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane
CID 24988907
2-[2-(3-bromophenoxy)ethylsulfanylmethyl]furan
CID 60625288
2-[2-(furan-2-ylmethylsulfanyl)ethyl]aniline
CID 62495920
2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64609270
2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone
CID 82050332
5-(3-phenoxypropylsulfanylmethyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 170565292
4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine
CID 62577779
2-amino-2-ethyl-5-(furan-2-ylmethylsulfanyl)pentanoic acid
CID 106807228
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenoxybutyl)guanidine;hydroiodide
CID 111354117
4-(furan-2-ylmethylsulfanyl)butan-2-amine
CID 64611326

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypropylsulfanylmethyl)furan?
The IUPAC name of 2-(3-phenoxypropylsulfanylmethyl)furan (CID 78846523) is 2-(3-phenoxypropylsulfanylmethyl)furan.
What is the SMILES notation for 2-(3-phenoxypropylsulfanylmethyl)furan?
The canonical SMILES for 2-(3-phenoxypropylsulfanylmethyl)furan is c1ccc(OCCCSCc2ccco2)cc1.
What is the InChIKey of 2-(3-phenoxypropylsulfanylmethyl)furan?
The InChIKey is FLOTUIMRQANAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c1-2-6-13(7-3-1)15-10-5-11-17-12-14-8-4-9-16-14/h1-4,6-9H,5,10-12H2.
What are the key properties of 2-(3-phenoxypropylsulfanylmethyl)furan?
2-(3-phenoxypropylsulfanylmethyl)furan has a molecular weight of 248.35 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropylsulfanylmethyl)furan is sourced from PubChem (CID 78846523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).