8-hydroxy-6,7-dimethylisochromen-1-one

C11H10O3 — CID 139593689

IUPAC8-hydroxy-6,7-dimethylisochromen-1-one
SMILESCc1cc2ccoc(=O)c2c(O)c1C
InChIInChI=1S/C11H10O3/c1-6-5-8-3-4-14-11(13)9(8)10(12)7(6)2/h3-5,12H,1-2H3
InChIKeyYTHXYDAVBZFZJA-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.12
Rot. Bonds

About 8-hydroxy-6,7-dimethylisochromen-1-one

8-hydroxy-6,7-dimethylisochromen-1-one (PubChem CID 139593689) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 8-hydroxy-6,7-dimethylisochromen-1-one.

Molecular Properties

Compound Name8-hydroxy-6,7-dimethylisochromen-1-one
PubChem CID139593689
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name8-hydroxy-6,7-dimethylisochromen-1-one
SMILESCc1cc2ccoc(=O)c2c(O)c1C
InChIInChI=1S/C11H10O3/c1-6-5-8-3-4-14-11(13)9(8)10(12)7(6)2/h3-5,12H,1-2H3
InChIKeyYTHXYDAVBZFZJA-UHFFFAOYSA-N
XLogP2.12
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6,7-dimethylisochromen-1-one?
The IUPAC name of 8-hydroxy-6,7-dimethylisochromen-1-one (CID 139593689) is 8-hydroxy-6,7-dimethylisochromen-1-one.
What is the SMILES notation for 8-hydroxy-6,7-dimethylisochromen-1-one?
The canonical SMILES for 8-hydroxy-6,7-dimethylisochromen-1-one is Cc1cc2ccoc(=O)c2c(O)c1C.
What is the InChIKey of 8-hydroxy-6,7-dimethylisochromen-1-one?
The InChIKey is YTHXYDAVBZFZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-6-5-8-3-4-14-11(13)9(8)10(12)7(6)2/h3-5,12H,1-2H3.
What are the key properties of 8-hydroxy-6,7-dimethylisochromen-1-one?
8-hydroxy-6,7-dimethylisochromen-1-one has a molecular weight of 190.20 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6,7-dimethylisochromen-1-one is sourced from PubChem (CID 139593689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).