9-hydroxy-8-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one

C15H10O5 — CID 171936163

IUPAC9-hydroxy-8-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one
SMILESCc1c(O)ccc2c1oc(=O)c1ccc3c(c12)OCO3
InChIInChI=1S/C15H10O5/c1-7-10(16)4-2-8-12-9(15(17)20-13(7)8)3-5-11-14(12)19-6-18-11/h2-5,16H,6H2,1H3
InChIKeyBRGUMBONFMIQPC-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.69
Rot. Bonds

About 9-hydroxy-8-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one

9-hydroxy-8-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one (PubChem CID 171936163) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 9-hydroxy-8-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one.

Molecular Properties

Compound Name9-hydroxy-8-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one
PubChem CID171936163
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name9-hydroxy-8-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one
SMILESCc1c(O)ccc2c1oc(=O)c1ccc3c(c12)OCO3
InChIInChI=1S/C15H10O5/c1-7-10(16)4-2-8-12-9(15(17)20-13(7)8)3-5-11-14(12)19-6-18-11/h2-5,16H,6H2,1H3
InChIKeyBRGUMBONFMIQPC-UHFFFAOYSA-N
XLogP2.69
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-chloro-9-hydroxy-11-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one
CID 171936179
3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one
CID 155119057
7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one
CID 171936140
3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-methyl-4-oxochromene-2-carboxylic acid
CID 89198898
4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol
CID 58219553
10-chloro-[1,3]benzodioxolo[6,7-c]isochromen-7-one
CID 162671341
4-[[cyclohexyl(methyl)amino]methyl]-7-hydroxy-8-methylchromen-2-one
CID 27134592
1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one
CID 10265248
9-chloro-3-hydroxy-8-methyl-3,4-dihydro-2H-pyrano[3,2-i][1,5]benzodioxepin-10-one
CID 11087264
13-hydroxy-14-methoxy-3,5,9,16-tetraoxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),7,11,13,15(19)-hexaene-10,17-dione
CID 162928930
3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one
CID 57388516
4,7,8-trihydroxy-3-methylchromen-2-one
CID 57357781

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-8-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one?
The IUPAC name of 9-hydroxy-8-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one (CID 171936163) is 9-hydroxy-8-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one.
What is the SMILES notation for 9-hydroxy-8-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one?
The canonical SMILES for 9-hydroxy-8-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one is Cc1c(O)ccc2c1oc(=O)c1ccc3c(c12)OCO3.
What is the InChIKey of 9-hydroxy-8-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one?
The InChIKey is BRGUMBONFMIQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c1-7-10(16)4-2-8-12-9(15(17)20-13(7)8)3-5-11-14(12)19-6-18-11/h2-5,16H,6H2,1H3.
What are the key properties of 9-hydroxy-8-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one?
9-hydroxy-8-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one has a molecular weight of 270.24 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-8-methyl-[1,3]benzodioxolo[6,7-c]chromen-6-one is sourced from PubChem (CID 171936163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).