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

C11H12O3 — CID 606012

IUPAC4,7-dimethoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc(OC)c2c1CCC2=O
InChIInChI=1S/C11H12O3/c1-13-9-5-6-10(14-2)11-7(9)3-4-8(11)12/h5-6H,3-4H2,1-2H3
InChIKeyMSGQVFMAKBIPNF-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.83
Rot. Bonds2

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

4,7-dimethoxy-2,3-dihydroinden-1-one (PubChem CID 606012) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4,7-dimethoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4,7-dimethoxy-2,3-dihydroinden-1-one
PubChem CID606012
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4,7-dimethoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc(OC)c2c1CCC2=O
InChIInChI=1S/C11H12O3/c1-13-9-5-6-10(14-2)11-7(9)3-4-8(11)12/h5-6H,3-4H2,1-2H3
InChIKeyMSGQVFMAKBIPNF-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethoxybenzaldehyde
CID 66726
5,6-Dimethoxy-1-indanone
CID 75018
4-Methoxy-9-fluorenone
CID 241139
2',5'-Dimethoxyacetophenone
CID 70991
1-(2-Hydroxy-5-methoxyphenyl)ethan-1-one
CID 69714
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
2-Bromo-2',5'-dimethoxyacetophenone
CID 70997
2-Propanone, 1-(2,5-dimethoxyphenyl)-
CID 268577
1H-Inden-1-one, 2,3-dihydro-2-[(3-methoxyphenyl)methylene]-
CID 367216
4,7-Dimethoxy-2-methyl-2,3-dihydro-1H-inden-1-one
CID 609857

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-2,3-dihydroinden-1-one?
The IUPAC name of 4,7-dimethoxy-2,3-dihydroinden-1-one (CID 606012) is 4,7-dimethoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 4,7-dimethoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 4,7-dimethoxy-2,3-dihydroinden-1-one is COc1ccc(OC)c2c1CCC2=O.
What is the InChIKey of 4,7-dimethoxy-2,3-dihydroinden-1-one?
The InChIKey is MSGQVFMAKBIPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-9-5-6-10(14-2)11-7(9)3-4-8(11)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,7-dimethoxy-2,3-dihydroinden-1-one?
4,7-dimethoxy-2,3-dihydroinden-1-one has a molecular weight of 192.21 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 606012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).