5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one

C13H14O3 — CID 90150502

IUPAC5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one
SMILESCOc1ccc(C)c2c1CC1CC(=O)OC21
InChIInChI=1S/C13H14O3/c1-7-3-4-10(15-2)9-5-8-6-11(14)16-13(8)12(7)9/h3-4,8,13H,5-6H2,1-2H3
InChIKeyYROKCLCSRMFISR-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.16
Rot. Bonds1

About 5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one

5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one (PubChem CID 90150502) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one.

Molecular Properties

Compound Name5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one
PubChem CID90150502
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one
SMILESCOc1ccc(C)c2c1CC1CC(=O)OC21
InChIInChI=1S/C13H14O3/c1-7-3-4-10(15-2)9-5-8-6-11(14)16-13(8)12(7)9/h3-4,8,13H,5-6H2,1-2H3
InChIKeyYROKCLCSRMFISR-UHFFFAOYSA-N
XLogP2.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one?
The IUPAC name of 5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one (CID 90150502) is 5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one.
What is the SMILES notation for 5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one?
The canonical SMILES for 5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one is COc1ccc(C)c2c1CC1CC(=O)OC21.
What is the InChIKey of 5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one?
The InChIKey is YROKCLCSRMFISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-7-3-4-10(15-2)9-5-8-6-11(14)16-13(8)12(7)9/h3-4,8,13H,5-6H2,1-2H3.
What are the key properties of 5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one?
5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one has a molecular weight of 218.25 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-8-methyl-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one is sourced from PubChem (CID 90150502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).