1-hydroxy-8-methylisochromen-3-one

C10H8O3 — CID 91091746

IUPAC1-hydroxy-8-methylisochromen-3-one
SMILESCc1cccc2cc(=O)oc(O)c12
InChIInChI=1S/C10H8O3/c1-6-3-2-4-7-5-8(11)13-10(12)9(6)7/h2-5,12H,1H3
InChIKeyNPDSASFLASYDON-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.81
Rot. Bonds

About 1-hydroxy-8-methylisochromen-3-one

1-hydroxy-8-methylisochromen-3-one (PubChem CID 91091746) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-hydroxy-8-methylisochromen-3-one.

Molecular Properties

Compound Name1-hydroxy-8-methylisochromen-3-one
PubChem CID91091746
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name1-hydroxy-8-methylisochromen-3-one
SMILESCc1cccc2cc(=O)oc(O)c12
InChIInChI=1S/C10H8O3/c1-6-3-2-4-7-5-8(11)13-10(12)9(6)7/h2-5,12H,1H3
InChIKeyNPDSASFLASYDON-UHFFFAOYSA-N
XLogP1.81
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-8-methylchromen-2-one
CID 54676122
3,4-dihydroxy-5-methylnaphthalene-2-carboxylic acid
CID 130295389
1,8-dimethylnaphthalene;ethane
CID 91447117
ethane;8-hydroxy-3-sulfanylchromen-2-one
CID 142599508
4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723
4,5-dimethylphenanthrene;ethane
CID 143983787
8-hydroxy-3-sulfanylchromen-2-one
CID 130034875
3-hydroxy-7-methylbenzo[c]chromen-6-one
CID 171935919
3-iodyl-4,5-dimethylnaphthalene-2-carboxylic acid
CID 23357807
8-(8-methylnaphthalen-1-yl)naphthalen-1-ol
CID 157321941
4,8-dihydroxychromen-2-one
CID 54719604
8-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 73355033

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-8-methylisochromen-3-one?
The IUPAC name of 1-hydroxy-8-methylisochromen-3-one (CID 91091746) is 1-hydroxy-8-methylisochromen-3-one.
What is the SMILES notation for 1-hydroxy-8-methylisochromen-3-one?
The canonical SMILES for 1-hydroxy-8-methylisochromen-3-one is Cc1cccc2cc(=O)oc(O)c12.
What is the InChIKey of 1-hydroxy-8-methylisochromen-3-one?
The InChIKey is NPDSASFLASYDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c1-6-3-2-4-7-5-8(11)13-10(12)9(6)7/h2-5,12H,1H3.
What are the key properties of 1-hydroxy-8-methylisochromen-3-one?
1-hydroxy-8-methylisochromen-3-one has a molecular weight of 176.17 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-8-methylisochromen-3-one is sourced from PubChem (CID 91091746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).