4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one

C15H20O2 — CID 82082522

IUPAC4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc(C)c2c1C(CC(C)C)CC2=O
InChIInChI=1S/C15H20O2/c1-9(2)7-11-8-12(16)14-10(3)5-6-13(17-4)15(11)14/h5-6,9,11H,7-8H2,1-4H3
InChIKeyWVKBKEANQMJEHW-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.72
Rot. Bonds3

About 4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one

4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one (PubChem CID 82082522) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one
PubChem CID82082522
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc(C)c2c1C(CC(C)C)CC2=O
InChIInChI=1S/C15H20O2/c1-9(2)7-11-8-12(16)14-10(3)5-6-13(17-4)15(11)14/h5-6,9,11H,7-8H2,1-4H3
InChIKeyWVKBKEANQMJEHW-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Anisindione
CID 2197
6-Methoxy-alpha-tetralone
CID 14112
5,6-Dimethoxy-1-indanone
CID 75018
Methoxyphenone
CID 38839
1-(4-Methoxy-3-methylphenyl)ethan-1-one
CID 24806
4-Methoxy-9-fluorenone
CID 241139
4,7-dimethoxy-2,3-dihydro-1H-inden-1-one
CID 606012
6-Methoxy-2-methyl-2,3-dihydro-1H-inden-1-one
CID 231178
2-(3,4-Dimethoxy-phenyl)-indan-1,3-dione
CID 310608
4-Hydroxy-7-methyl-1-indanone
CID 5005111
(R)-4,6-Dimethoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-one
CID 156579934
5-(4,4,4-Trifluorobutoxy)-1-indanone
CID 11708681

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one?
The IUPAC name of 4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one (CID 82082522) is 4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one is COc1ccc(C)c2c1C(CC(C)C)CC2=O.
What is the InChIKey of 4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one?
The InChIKey is WVKBKEANQMJEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9(2)7-11-8-12(16)14-10(3)5-6-13(17-4)15(11)14/h5-6,9,11H,7-8H2,1-4H3.
What are the key properties of 4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one?
4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 82082522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).