1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone

C13H16O3 — CID 86124271

IUPAC1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone
SMILESCOc1ccc(OC)c2c1CC(C(C)=O)C2
InChIInChI=1S/C13H16O3/c1-8(14)9-6-10-11(7-9)13(16-3)5-4-12(10)15-2/h4-5,9H,6-7H2,1-3H3
InChIKeyRFEPQBSKNCSIIM-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.01
Rot. Bonds3

About 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone

1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone (PubChem CID 86124271) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone.

Molecular Properties

Compound Name1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone
PubChem CID86124271
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone
SMILESCOc1ccc(OC)c2c1CC(C(C)=O)C2
InChIInChI=1S/C13H16O3/c1-8(14)9-6-10-11(7-9)13(16-3)5-4-12(10)15-2/h4-5,9H,6-7H2,1-3H3
InChIKeyRFEPQBSKNCSIIM-UHFFFAOYSA-N
XLogP2.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate
CID 20563346
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 5073341
(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid
CID 158989698
2-bromo-1-(5,8-dimethoxy-3,4-dihydro-1H-isochromen-3-yl)ethanone
CID 18932641
bis(2-(3-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine);sulfuric acid
CID 24838578
4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide
CID 18466214
methyl 4,7-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxylate
CID 21191708
1-(3-cyclopentyl-4-methoxyphenyl)ethanone
CID 84683848
1-cyclopropyl-3-(3,4-dimethoxyphenyl)propane-1,3-dione
CID 55204524
4-(3,4-dimethoxybenzoyl)oxetan-2-one
CID 117059900
(3R)-5-bromo-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 92864057

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone?
The IUPAC name of 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone (CID 86124271) is 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone.
What is the SMILES notation for 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone?
The canonical SMILES for 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone is COc1ccc(OC)c2c1CC(C(C)=O)C2.
What is the InChIKey of 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone?
The InChIKey is RFEPQBSKNCSIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-8(14)9-6-10-11(7-9)13(16-3)5-4-12(10)15-2/h4-5,9H,6-7H2,1-3H3.
What are the key properties of 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone?
1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone has a molecular weight of 220.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone is sourced from PubChem (CID 86124271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).