5,8-dihydroxy-7-methoxy-2-methylchromen-4-one

C11H10O5 — CID 75361247

IUPAC5,8-dihydroxy-7-methoxy-2-methylchromen-4-one
SMILESCOc1cc(O)c2c(=O)cc(C)oc2c1O
InChIInChI=1S/C11H10O5/c1-5-3-6(12)9-7(13)4-8(15-2)10(14)11(9)16-5/h3-4,13-14H,1-2H3
InChIKeyBKQAYUHMNRDJTR-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.52
Rot. Bonds1

About 5,8-dihydroxy-7-methoxy-2-methylchromen-4-one

5,8-dihydroxy-7-methoxy-2-methylchromen-4-one (PubChem CID 75361247) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5,8-dihydroxy-7-methoxy-2-methylchromen-4-one.

Molecular Properties

Compound Name5,8-dihydroxy-7-methoxy-2-methylchromen-4-one
PubChem CID75361247
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name5,8-dihydroxy-7-methoxy-2-methylchromen-4-one
SMILESCOc1cc(O)c2c(=O)cc(C)oc2c1O
InChIInChI=1S/C11H10O5/c1-5-3-6(12)9-7(13)4-8(15-2)10(14)11(9)16-5/h3-4,13-14H,1-2H3
InChIKeyBKQAYUHMNRDJTR-UHFFFAOYSA-N
XLogP1.52
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-8-[(2S)-2-hydroxy-3-methylbut-3-enyl]-7-methoxy-2-methylchromen-4-one
CID 163020135
5,6-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 52918156
5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
CID 14482774
4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one
CID 135849817
methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate
CID 132578877
2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 102403396
5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one
CID 163106337
2-(3,4-dimethoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 71403910
5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione
CID 71438742
ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 143290576
5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one
CID 162880668
4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane
CID 143290579

Frequently Asked Questions

What is the IUPAC name of 5,8-dihydroxy-7-methoxy-2-methylchromen-4-one?
The IUPAC name of 5,8-dihydroxy-7-methoxy-2-methylchromen-4-one (CID 75361247) is 5,8-dihydroxy-7-methoxy-2-methylchromen-4-one.
What is the SMILES notation for 5,8-dihydroxy-7-methoxy-2-methylchromen-4-one?
The canonical SMILES for 5,8-dihydroxy-7-methoxy-2-methylchromen-4-one is COc1cc(O)c2c(=O)cc(C)oc2c1O.
What is the InChIKey of 5,8-dihydroxy-7-methoxy-2-methylchromen-4-one?
The InChIKey is BKQAYUHMNRDJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c1-5-3-6(12)9-7(13)4-8(15-2)10(14)11(9)16-5/h3-4,13-14H,1-2H3.
What are the key properties of 5,8-dihydroxy-7-methoxy-2-methylchromen-4-one?
5,8-dihydroxy-7-methoxy-2-methylchromen-4-one has a molecular weight of 222.20 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydroxy-7-methoxy-2-methylchromen-4-one is sourced from PubChem (CID 75361247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).