5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one

C15H20O2 — CID 169128153

IUPAC5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1C(C)(C)C)CC(C)C2=O
InChIInChI=1S/C15H20O2/c1-9-6-10-7-12(15(2,3)4)13(17-5)8-11(10)14(9)16/h7-9H,6H2,1-5H3
InChIKeyBRMRKQVSHHLULF-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.37
Rot. Bonds1

About 5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one

5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one (PubChem CID 169128153) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one
PubChem CID169128153
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1C(C)(C)C)CC(C)C2=O
InChIInChI=1S/C15H20O2/c1-9-6-10-7-12(15(2,3)4)13(17-5)8-11(10)14(9)16/h7-9H,6H2,1-5H3
InChIKeyBRMRKQVSHHLULF-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2-ethyl-6-methoxy-2,3-dihydroinden-1-one
CID 170070080
6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one
CID 67982622
4-bromo-5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one
CID 178076252
4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one
CID 15721806
6-tert-butyl-4-(4-tert-butylphenyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-one
CID 71230812
6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one
CID 149158752
6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one
CID 178126148
2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 22755555
7-tert-butyl-6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 168846404
(3S)-5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
CID 18445644
5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
CID 605781
(2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one
CID 86316397

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one (CID 169128153) is 5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one is COc1cc2c(cc1C(C)(C)C)CC(C)C2=O.
What is the InChIKey of 5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is BRMRKQVSHHLULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-6-10-7-12(15(2,3)4)13(17-5)8-11(10)14(9)16/h7-9H,6H2,1-5H3.
What are the key properties of 5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one?
5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 169128153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).