9-hydroxy-3-methoxy-8-methylbenzo[7]annulen-6-one

C13H12O3 — CID 102201900

IUPAC9-hydroxy-3-methoxy-8-methylbenzo[7]annulen-6-one
SMILESCOc1ccc2c(O)c(C)cc(=O)cc2c1
InChIInChI=1S/C13H12O3/c1-8-5-10(14)6-9-7-11(16-2)3-4-12(9)13(8)15/h3-7,15H,1-2H3
InChIKeyFZERNXKXYICPSG-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.22
Rot. Bonds1

About 9-hydroxy-3-methoxy-8-methylbenzo[7]annulen-6-one

9-hydroxy-3-methoxy-8-methylbenzo[7]annulen-6-one (PubChem CID 102201900) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 9-hydroxy-3-methoxy-8-methylbenzo[7]annulen-6-one.

Molecular Properties

Compound Name9-hydroxy-3-methoxy-8-methylbenzo[7]annulen-6-one
PubChem CID102201900
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name9-hydroxy-3-methoxy-8-methylbenzo[7]annulen-6-one
SMILESCOc1ccc2c(O)c(C)cc(=O)cc2c1
InChIInChI=1S/C13H12O3/c1-8-5-10(14)6-9-7-11(16-2)3-4-12(9)13(8)15/h3-7,15H,1-2H3
InChIKeyFZERNXKXYICPSG-UHFFFAOYSA-N
XLogP2.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-methoxy-8-methylbenzo[7]annulen-6-one?
The IUPAC name of 9-hydroxy-3-methoxy-8-methylbenzo[7]annulen-6-one (CID 102201900) is 9-hydroxy-3-methoxy-8-methylbenzo[7]annulen-6-one.
What is the SMILES notation for 9-hydroxy-3-methoxy-8-methylbenzo[7]annulen-6-one?
The canonical SMILES for 9-hydroxy-3-methoxy-8-methylbenzo[7]annulen-6-one is COc1ccc2c(O)c(C)cc(=O)cc2c1.
What is the InChIKey of 9-hydroxy-3-methoxy-8-methylbenzo[7]annulen-6-one?
The InChIKey is FZERNXKXYICPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-8-5-10(14)6-9-7-11(16-2)3-4-12(9)13(8)15/h3-7,15H,1-2H3.
What are the key properties of 9-hydroxy-3-methoxy-8-methylbenzo[7]annulen-6-one?
9-hydroxy-3-methoxy-8-methylbenzo[7]annulen-6-one has a molecular weight of 216.24 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-methoxy-8-methylbenzo[7]annulen-6-one is sourced from PubChem (CID 102201900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).