3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran

C16H16O2S — CID 155774063

IUPAC3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran
SMILESCC1OC2=C(CCCO2)C1c1cc2ccccc2s1
InChIInChI=1S/C16H16O2S/c1-10-15(12-6-4-8-17-16(12)18-10)14-9-11-5-2-3-7-13(11)19-14/h2-3,5,7,9-10,15H,4,6,8H2,1H3
InChIKeyOPPVGCKGFLIYAO-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.43
Rot. Bonds1

About 3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran

3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran (PubChem CID 155774063) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran
PubChem CID155774063
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran
SMILESCC1OC2=C(CCCO2)C1c1cc2ccccc2s1
InChIInChI=1S/C16H16O2S/c1-10-15(12-6-4-8-17-16(12)18-10)14-9-11-5-2-3-7-13(11)19-14/h2-3,5,7,9-10,15H,4,6,8H2,1H3
InChIKeyOPPVGCKGFLIYAO-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran?
The IUPAC name of 3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran (CID 155774063) is 3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran is CC1OC2=C(CCCO2)C1c1cc2ccccc2s1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran?
The InChIKey is OPPVGCKGFLIYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-10-15(12-6-4-8-17-16(12)18-10)14-9-11-5-2-3-7-13(11)19-14/h2-3,5,7,9-10,15H,4,6,8H2,1H3.
What are the key properties of 3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran?
3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran has a molecular weight of 272.37 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-2-methyl-3,4,5,6-tetrahydro-2H-furo[2,3-b]pyran is sourced from PubChem (CID 155774063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).