1-hydroxy-7-methoxyisochromen-3-one

C10H8O4 — CID 57218518

IUPAC1-hydroxy-7-methoxyisochromen-3-one
SMILESCOc1ccc2cc(=O)oc(O)c2c1
InChIInChI=1S/C10H8O4/c1-13-7-3-2-6-4-9(11)14-10(12)8(6)5-7/h2-5,12H,1H3
InChIKeyVQUAJFHXQXZVMF-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.51
Rot. Bonds1

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

1-hydroxy-7-methoxyisochromen-3-one (PubChem CID 57218518) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 1-hydroxy-7-methoxyisochromen-3-one.

Molecular Properties

Compound Name1-hydroxy-7-methoxyisochromen-3-one
PubChem CID57218518
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name1-hydroxy-7-methoxyisochromen-3-one
SMILESCOc1ccc2cc(=O)oc(O)c2c1
InChIInChI=1S/C10H8O4/c1-13-7-3-2-6-4-9(11)14-10(12)8(6)5-7/h2-5,12H,1H3
InChIKeyVQUAJFHXQXZVMF-UHFFFAOYSA-N
XLogP1.51
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Herbarin A
CID 11042715
5-(4-Methoxy-3-methyl-6-oxopyran-2-yl)penta-2,4-dienoic acid
CID 85377777
4-(4-Methoxy-2-methyl-6-oxopyran-3-yl)but-2-enoic acid
CID 86084831
Novae-zelandin B
CID 101379191
Pestalotiopyrone N
CID 156580671
1-Hydroxy-3H-2-benzopyran-3-one
CID 22023297
Dihydroxyisocoumarin
CID 126481987
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
8-Fluoro-1-hydroxy-7-methoxyisochromen-3-one
CID 91481790

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-7-methoxyisochromen-3-one?
The IUPAC name of 1-hydroxy-7-methoxyisochromen-3-one (CID 57218518) is 1-hydroxy-7-methoxyisochromen-3-one.
What is the SMILES notation for 1-hydroxy-7-methoxyisochromen-3-one?
The canonical SMILES for 1-hydroxy-7-methoxyisochromen-3-one is COc1ccc2cc(=O)oc(O)c2c1.
What is the InChIKey of 1-hydroxy-7-methoxyisochromen-3-one?
The InChIKey is VQUAJFHXQXZVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-13-7-3-2-6-4-9(11)14-10(12)8(6)5-7/h2-5,12H,1H3.
What are the key properties of 1-hydroxy-7-methoxyisochromen-3-one?
1-hydroxy-7-methoxyisochromen-3-one has a molecular weight of 192.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-7-methoxyisochromen-3-one is sourced from PubChem (CID 57218518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).