5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one

C11H12O3 — CID 14997894

IUPAC5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1O)CC(C)C2=O
InChIInChI=1S/C11H12O3/c1-6-3-7-4-9(12)10(14-2)5-8(7)11(6)13/h4-6,12H,3H2,1-2H3
InChIKeyHIQOGHGGZYIFQJ-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.78
Rot. Bonds1

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

5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one (PubChem CID 14997894) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one
PubChem CID14997894
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1O)CC(C)C2=O
InChIInChI=1S/C11H12O3/c1-6-3-7-4-9(12)10(14-2)5-8(7)11(6)13/h4-6,12H,3H2,1-2H3
InChIKeyHIQOGHGGZYIFQJ-UHFFFAOYSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one (CID 14997894) is 5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one is COc1cc2c(cc1O)CC(C)C2=O.
What is the InChIKey of 5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is HIQOGHGGZYIFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-6-3-7-4-9(12)10(14-2)5-8(7)11(6)13/h4-6,12H,3H2,1-2H3.
What are the key properties of 5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one?
5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 192.21 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 14997894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).