5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one

C13H10O3 — CID 162821119

IUPAC5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one
SMILESCc1c2c(c3ccccc3c1O)OCC2=O
InChIInChI=1S/C13H10O3/c1-7-11-10(14)6-16-13(11)9-5-3-2-4-8(9)12(7)15/h2-5,15H,6H2,1H3
InChIKeyMOKOHEFTPWMCDD-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.43
Rot. Bonds

About 5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one

5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one (PubChem CID 162821119) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one.

Molecular Properties

Compound Name5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one
PubChem CID162821119
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one
SMILESCc1c2c(c3ccccc3c1O)OCC2=O
InChIInChI=1S/C13H10O3/c1-7-11-10(14)6-16-13(11)9-5-3-2-4-8(9)12(7)15/h2-5,15H,6H2,1H3
InChIKeyMOKOHEFTPWMCDD-UHFFFAOYSA-N
XLogP2.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one?
The IUPAC name of 5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one (CID 162821119) is 5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one.
What is the SMILES notation for 5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one?
The canonical SMILES for 5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one is Cc1c2c(c3ccccc3c1O)OCC2=O.
What is the InChIKey of 5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one?
The InChIKey is MOKOHEFTPWMCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c1-7-11-10(14)6-16-13(11)9-5-3-2-4-8(9)12(7)15/h2-5,15H,6H2,1H3.
What are the key properties of 5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one?
5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one has a molecular weight of 214.22 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one is sourced from PubChem (CID 162821119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).