4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one

C12H14O3 — CID 609857

IUPAC4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one
SMILESCOc1ccc(OC)c2c1CC(C)C2=O
InChIInChI=1S/C12H14O3/c1-7-6-8-9(14-2)4-5-10(15-3)11(8)12(7)13/h4-5,7H,6H2,1-3H3
InChIKeyPJJMKVJLFRGNKC-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.08
Rot. Bonds2

About 4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one

4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one (PubChem CID 609857) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one
PubChem CID609857
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one
SMILESCOc1ccc(OC)c2c1CC(C)C2=O
InChIInChI=1S/C12H14O3/c1-7-6-8-9(14-2)4-5-10(15-3)11(8)12(7)13/h4-5,7H,6H2,1-3H3
InChIKeyPJJMKVJLFRGNKC-UHFFFAOYSA-N
XLogP2.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-9-fluorenone
CID 241139
4,7-dimethoxy-2,3-dihydro-1H-inden-1-one
CID 606012
2',5'-Dimethoxyacetophenone
CID 70991
5-Methoxy-2-methylnaphthalene-1,4-dione
CID 185478
2,5-Dimethoxypropiophenone
CID 79865
6-Methoxy-2-methyl-2,3-dihydro-1H-inden-1-one
CID 231178
1H-Indene-1,3(2H)-dione, 2-(3-methoxyphenyl)-
CID 2817810
5,6-Dimethoxy-2-methyl-2,3-dihydro-1H-inden-1-one
CID 10878304
4-methoxy-2-methyl-2,3-dihydro-1H-inden-1-one
CID 13692942
Lantalucratin A
CID 10265126
4,5-Dimethoxy-1-indanone
CID 240446
5-Methoxyindan-1-one
CID 78787

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one (CID 609857) is 4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one is COc1ccc(OC)c2c1CC(C)C2=O.
What is the InChIKey of 4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is PJJMKVJLFRGNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-7-6-8-9(14-2)4-5-10(15-3)11(8)12(7)13/h4-5,7H,6H2,1-3H3.
What are the key properties of 4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one?
4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 206.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 609857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).