5,6,7-trimethoxy-1H-indene

C12H14O3 — CID 91806232

IUPAC5,6,7-trimethoxy-1H-indene
SMILESCOc1cc2c(c(OC)c1OC)CC=C2
InChIInChI=1S/C12H14O3/c1-13-10-7-8-5-4-6-9(8)11(14-2)12(10)15-3/h4-5,7H,6H2,1-3H3
InChIKeyHJYGJKQEDBEHCE-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.28
Rot. Bonds3

About 5,6,7-trimethoxy-1H-indene

5,6,7-trimethoxy-1H-indene (PubChem CID 91806232) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5,6,7-trimethoxy-1H-indene.

Molecular Properties

Compound Name5,6,7-trimethoxy-1H-indene
PubChem CID91806232
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name5,6,7-trimethoxy-1H-indene
SMILESCOc1cc2c(c(OC)c1OC)CC=C2
InChIInChI=1S/C12H14O3/c1-13-10-7-8-5-4-6-9(8)11(14-2)12(10)15-3/h4-5,7H,6H2,1-3H3
InChIKeyHJYGJKQEDBEHCE-UHFFFAOYSA-N
XLogP2.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1,2,3,6,7,8-hexamethoxy-9,10-dihydroanthracene
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(1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol
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2,3,4,5-tetramethoxybenzonitrile
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1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
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methane;1,2,3,4-tetramethoxy-5-methylbenzene
CID 157228165
7,8,9-trimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-1H-indene?
The IUPAC name of 5,6,7-trimethoxy-1H-indene (CID 91806232) is 5,6,7-trimethoxy-1H-indene.
What is the SMILES notation for 5,6,7-trimethoxy-1H-indene?
The canonical SMILES for 5,6,7-trimethoxy-1H-indene is COc1cc2c(c(OC)c1OC)CC=C2.
What is the InChIKey of 5,6,7-trimethoxy-1H-indene?
The InChIKey is HJYGJKQEDBEHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-13-10-7-8-5-4-6-9(8)11(14-2)12(10)15-3/h4-5,7H,6H2,1-3H3.
What are the key properties of 5,6,7-trimethoxy-1H-indene?
5,6,7-trimethoxy-1H-indene has a molecular weight of 206.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-1H-indene is sourced from PubChem (CID 91806232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).