3,4,7-trihydroxy-6-methylchromen-2-one

C10H8O5 — CID 156582420

IUPAC3,4,7-trihydroxy-6-methylchromen-2-one
SMILESCc1cc2c(O)c(O)c(=O)oc2cc1O
InChIInChI=1S/C10H8O5/c1-4-2-5-7(3-6(4)11)15-10(14)9(13)8(5)12/h2-3,11-13H,1H3
InChIKeyVMYHWWAOAVUGLS-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.22
Rot. Bonds

About 3,4,7-trihydroxy-6-methylchromen-2-one

3,4,7-trihydroxy-6-methylchromen-2-one (PubChem CID 156582420) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is 3,4,7-trihydroxy-6-methylchromen-2-one.

Molecular Properties

Compound Name3,4,7-trihydroxy-6-methylchromen-2-one
PubChem CID156582420
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name3,4,7-trihydroxy-6-methylchromen-2-one
SMILESCc1cc2c(O)c(O)c(=O)oc2cc1O
InChIInChI=1S/C10H8O5/c1-4-2-5-7(3-6(4)11)15-10(14)9(13)8(5)12/h2-3,11-13H,1H3
InChIKeyVMYHWWAOAVUGLS-UHFFFAOYSA-N
XLogP1.22
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,6-dihydroxy-3,7-dimethylchromen-2-one
CID 102497049
4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one
CID 54736430
6-hydroxy-4,7-dimethyl-3-propylchromen-2-one
CID 3066744
4-hydroxy-3,7-dimethylchromen-2-one
CID 54727939
4-hydroxy-3-[1-(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)-2-nitrosoethyl]-6,7-dimethylchromen-2-one
CID 91298838
3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one
CID 137098680
3,4-dihydroxy-6-phenylchromen-2-one
CID 54690428
5,7-dimethyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-trien-3-one;2-methylphenol
CID 67782768
1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone
CID 90143254
2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one
CID 167609389
7-hydroxy-3,4-dimethyl-2-oxochromene-6-sulfonyl chloride
CID 121006290
7-hydroxy-5,6-dimethyl-2-oxochromene-3-carbaldehyde
CID 77050766

Frequently Asked Questions

What is the IUPAC name of 3,4,7-trihydroxy-6-methylchromen-2-one?
The IUPAC name of 3,4,7-trihydroxy-6-methylchromen-2-one (CID 156582420) is 3,4,7-trihydroxy-6-methylchromen-2-one.
What is the SMILES notation for 3,4,7-trihydroxy-6-methylchromen-2-one?
The canonical SMILES for 3,4,7-trihydroxy-6-methylchromen-2-one is Cc1cc2c(O)c(O)c(=O)oc2cc1O.
What is the InChIKey of 3,4,7-trihydroxy-6-methylchromen-2-one?
The InChIKey is VMYHWWAOAVUGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c1-4-2-5-7(3-6(4)11)15-10(14)9(13)8(5)12/h2-3,11-13H,1H3.
What are the key properties of 3,4,7-trihydroxy-6-methylchromen-2-one?
3,4,7-trihydroxy-6-methylchromen-2-one has a molecular weight of 208.17 g/mol, XLogP of 1.22, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trihydroxy-6-methylchromen-2-one is sourced from PubChem (CID 156582420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).