8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one

C10H10O3 — CID 28516

IUPAC8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
SMILESCC1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3
InChIKeyKWILGNNWGSNMPA-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.49
Rot. Bonds

About 8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one

8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one (PubChem CID 28516) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
PubChem CID28516
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
SMILESCC1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3
InChIKeyKWILGNNWGSNMPA-UHFFFAOYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one?
The IUPAC name of 8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one (CID 28516) is 8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one.
What is the SMILES notation for 8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one?
The canonical SMILES for 8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one is CC1Cc2cccc(O)c2C(=O)O1.
What is the InChIKey of 8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one?
The InChIKey is KWILGNNWGSNMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3.
What are the key properties of 8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one?
8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one has a molecular weight of 178.19 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 28516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).