8-fluoro-1-hydroxy-7-methoxyisochromen-3-one

C10H7FO4 — CID 91481790

IUPAC8-fluoro-1-hydroxy-7-methoxyisochromen-3-one
SMILESCOc1ccc2cc(=O)oc(O)c2c1F
InChIInChI=1S/C10H7FO4/c1-14-6-3-2-5-4-7(12)15-10(13)8(5)9(6)11/h2-4,13H,1H3
InChIKeyNBZCKHMCDZBIAI-UHFFFAOYSA-N
MW210.16 g/mol
LogP1.65
Rot. Bonds1

About 8-fluoro-1-hydroxy-7-methoxyisochromen-3-one

8-fluoro-1-hydroxy-7-methoxyisochromen-3-one (PubChem CID 91481790) has the molecular formula C10H7FO4 and a molecular weight of 210.16 g/mol. Its IUPAC name is 8-fluoro-1-hydroxy-7-methoxyisochromen-3-one.

Molecular Properties

Compound Name8-fluoro-1-hydroxy-7-methoxyisochromen-3-one
PubChem CID91481790
Molecular FormulaC10H7FO4
Molecular Weight210.16 g/mol
Exact Mass210.03
IUPAC Name8-fluoro-1-hydroxy-7-methoxyisochromen-3-one
SMILESCOc1ccc2cc(=O)oc(O)c2c1F
InChIInChI=1S/C10H7FO4/c1-14-6-3-2-5-4-7(12)15-10(13)8(5)9(6)11/h2-4,13H,1H3
InChIKeyNBZCKHMCDZBIAI-UHFFFAOYSA-N
XLogP1.65
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Hydroxy-3H-2-benzopyran-3-one
CID 22023297
Dihydroxyisocoumarin
CID 126481987
6-Fluoroisochromen-3-one
CID 56982525
5-Fluoro-1-hydroxyisochromen-3-one
CID 57165643
7-Fluoro-1-hydroxyisochromen-3-one
CID 90696590
7,8-Difluoro-1-hydroxyisochromen-3-one
CID 90736509
8-Fluoro-1-hydroxyisochromen-3-one
CID 90968652
5,8-Difluoro-1-hydroxyisochromen-3-one
CID 91371025
6,8-Difluoro-1-hydroxyisochromen-3-one
CID 91460830
1-Hydroxy-8-(trifluoromethyl)isochromen-3-one
CID 123657801
3-Oxoisochromen-1-olate
CID 178342029
4-Methyl-2H,7H-pyrano(2,3-b)pyran-2,7-dione
CID 142211

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-hydroxy-7-methoxyisochromen-3-one?
The IUPAC name of 8-fluoro-1-hydroxy-7-methoxyisochromen-3-one (CID 91481790) is 8-fluoro-1-hydroxy-7-methoxyisochromen-3-one.
What is the SMILES notation for 8-fluoro-1-hydroxy-7-methoxyisochromen-3-one?
The canonical SMILES for 8-fluoro-1-hydroxy-7-methoxyisochromen-3-one is COc1ccc2cc(=O)oc(O)c2c1F.
What is the InChIKey of 8-fluoro-1-hydroxy-7-methoxyisochromen-3-one?
The InChIKey is NBZCKHMCDZBIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO4/c1-14-6-3-2-5-4-7(12)15-10(13)8(5)9(6)11/h2-4,13H,1H3.
What are the key properties of 8-fluoro-1-hydroxy-7-methoxyisochromen-3-one?
8-fluoro-1-hydroxy-7-methoxyisochromen-3-one has a molecular weight of 210.16 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-hydroxy-7-methoxyisochromen-3-one is sourced from PubChem (CID 91481790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).