6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one

C18H26O2 — CID 67982622

IUPAC6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1C(C)(C)C)C(=O)C(CC(C)C)C2
InChIInChI=1S/C18H26O2/c1-11(2)7-13-8-12-9-16(20-6)15(18(3,4)5)10-14(12)17(13)19/h9-11,13H,7-8H2,1-6H3
InChIKeyFURGRIMWQYJSIK-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.39
Rot. Bonds3

About 6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one

6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one (PubChem CID 67982622) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one
PubChem CID67982622
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1C(C)(C)C)C(=O)C(CC(C)C)C2
InChIInChI=1S/C18H26O2/c1-11(2)7-13-8-12-9-16(20-6)15(18(3,4)5)10-14(12)17(13)19/h9-11,13H,7-8H2,1-6H3
InChIKeyFURGRIMWQYJSIK-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.39
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
5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one
CID 169128153
6,7-dichloro-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one
CID 20520767
2-[(E)-but-2-enyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 19036380
2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 22755555
3-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)propanoic acid
CID 14128308
2-benzyl-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 10902071
9,10-dimethoxy-3-(2-methylpropyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one
CID 139025676
(3S,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 7059638
(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium
CID 4518460
(3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-3,4,5,6,7,11b-hexahydro-1H-benzo[a]quinolizin-5-ium-2-one
CID 11869434
9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one;ethane
CID 143088515

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one?
The IUPAC name of 6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one (CID 67982622) is 6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one is COc1cc2c(cc1C(C)(C)C)C(=O)C(CC(C)C)C2.
What is the InChIKey of 6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one?
The InChIKey is FURGRIMWQYJSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-11(2)7-13-8-12-9-16(20-6)15(18(3,4)5)10-14(12)17(13)19/h9-11,13H,7-8H2,1-6H3.
What are the key properties of 6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one?
6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one has a molecular weight of 274.40 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 67982622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).