1,3,5,6-tetramethoxy-1H-indene

C13H16O4 — CID 18427629

IUPAC1,3,5,6-tetramethoxy-1H-indene
SMILESCOC1=CC(OC)c2cc(OC)c(OC)cc21
InChIInChI=1S/C13H16O4/c1-14-10-7-11(15-2)9-6-13(17-4)12(16-3)5-8(9)10/h5-7,10H,1-4H3
InChIKeyQVRKSLOJKQRBAU-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.39
Rot. Bonds4

About 1,3,5,6-tetramethoxy-1H-indene

1,3,5,6-tetramethoxy-1H-indene (PubChem CID 18427629) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1,3,5,6-tetramethoxy-1H-indene.

Molecular Properties

Compound Name1,3,5,6-tetramethoxy-1H-indene
PubChem CID18427629
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name1,3,5,6-tetramethoxy-1H-indene
SMILESCOC1=CC(OC)c2cc(OC)c(OC)cc21
InChIInChI=1S/C13H16O4/c1-14-10-7-11(15-2)9-6-13(17-4)12(16-3)5-8(9)10/h5-7,10H,1-4H3
InChIKeyQVRKSLOJKQRBAU-UHFFFAOYSA-N
XLogP2.39
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,6-tetramethoxy-1H-indene?
The IUPAC name of 1,3,5,6-tetramethoxy-1H-indene (CID 18427629) is 1,3,5,6-tetramethoxy-1H-indene.
What is the SMILES notation for 1,3,5,6-tetramethoxy-1H-indene?
The canonical SMILES for 1,3,5,6-tetramethoxy-1H-indene is COC1=CC(OC)c2cc(OC)c(OC)cc21.
What is the InChIKey of 1,3,5,6-tetramethoxy-1H-indene?
The InChIKey is QVRKSLOJKQRBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-14-10-7-11(15-2)9-6-13(17-4)12(16-3)5-8(9)10/h5-7,10H,1-4H3.
What are the key properties of 1,3,5,6-tetramethoxy-1H-indene?
1,3,5,6-tetramethoxy-1H-indene has a molecular weight of 236.27 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6-tetramethoxy-1H-indene is sourced from PubChem (CID 18427629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).