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

C11H12O3 — CID 14997887

IUPAC6-hydroxy-5-methoxy-2-methyl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1O)C(=O)C(C)C2
InChIInChI=1S/C11H12O3/c1-6-3-7-4-10(14-2)9(12)5-8(7)11(6)13/h4-6,12H,3H2,1-2H3
InChIKeyWHEBWOWRTSFQQO-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.78
Rot. Bonds1

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

6-hydroxy-5-methoxy-2-methyl-2,3-dihydroinden-1-one (PubChem CID 14997887) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 6-hydroxy-5-methoxy-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-hydroxy-5-methoxy-2-methyl-2,3-dihydroinden-1-one
PubChem CID14997887
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name6-hydroxy-5-methoxy-2-methyl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1O)C(=O)C(C)C2
InChIInChI=1S/C11H12O3/c1-6-3-7-4-10(14-2)9(12)5-8(7)11(6)13/h4-6,12H,3H2,1-2H3
InChIKeyWHEBWOWRTSFQQO-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 6-hydroxy-5-methoxy-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 6-hydroxy-5-methoxy-2-methyl-2,3-dihydroinden-1-one (CID 14997887) is 6-hydroxy-5-methoxy-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-hydroxy-5-methoxy-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 6-hydroxy-5-methoxy-2-methyl-2,3-dihydroinden-1-one is COc1cc2c(cc1O)C(=O)C(C)C2.
What is the InChIKey of 6-hydroxy-5-methoxy-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is WHEBWOWRTSFQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-6-3-7-4-10(14-2)9(12)5-8(7)11(6)13/h4-6,12H,3H2,1-2H3.
What are the key properties of 6-hydroxy-5-methoxy-2-methyl-2,3-dihydroinden-1-one?
6-hydroxy-5-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 6-hydroxy-5-methoxy-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 14997887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).