3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one

C20H14O8 — CID 57388516

IUPAC3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one
SMILESCc1c(-c2c(C)c3ccc(O)c(O)c3oc2=O)c(=O)oc2c(O)c(O)ccc12
InChIInChI=1S/C20H14O8/c1-7-9-3-5-11(21)15(23)17(9)27-19(25)13(7)14-8(2)10-4-6-12(22)16(24)18(10)28-20(14)26/h3-6,21-24H,1-2H3
InChIKeyIIGBIRZCEMSKHU-UHFFFAOYSA-N
MW382.32 g/mol
LogP3.01
Rot. Bonds1

About 3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one

3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one (PubChem CID 57388516) has the molecular formula C20H14O8 and a molecular weight of 382.32 g/mol. Its IUPAC name is 3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one.

Molecular Properties

Compound Name3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one
PubChem CID57388516
Molecular FormulaC20H14O8
Molecular Weight382.32 g/mol
Exact Mass382.07
IUPAC Name3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one
SMILESCc1c(-c2c(C)c3ccc(O)c(O)c3oc2=O)c(=O)oc2c(O)c(O)ccc12
InChIInChI=1S/C20H14O8/c1-7-9-3-5-11(21)15(23)17(9)27-19(25)13(7)14-8(2)10-4-6-12(22)16(24)18(10)28-20(14)26/h3-6,21-24H,1-2H3
InChIKeyIIGBIRZCEMSKHU-UHFFFAOYSA-N
XLogP3.01
TPSA141.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4,7,8-trihydroxy-3-methylchromen-2-one
CID 57357781
2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetic acid
CID 5498524
3-benzyl-7,8-dihydroxy-4-methylchromen-2-one
CID 5428528
8-amino-7-hydroxy-3,4-dimethylchromen-2-one
CID 124706841
3-[(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)amino]-7,8-dihydroxy-1H-quinolin-2-one
CID 57388517
2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 6237197
3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoate
CID 6295260
7-hydroxy-3,4-dimethyl-8-prop-2-enylchromen-2-one
CID 6020802
3-bromo-7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
CID 24799272
N-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6237267
3-hydroxy-4-methylbenzo[h]chromen-2-one
CID 154018255
[3-(4-chlorophenyl)-7-hydroxy-4-methyl-2-oxochromen-8-yl]methyl-dimethylazanium
CID 7204946

Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one?
The IUPAC name of 3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one (CID 57388516) is 3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one.
What is the SMILES notation for 3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one?
The canonical SMILES for 3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one is Cc1c(-c2c(C)c3ccc(O)c(O)c3oc2=O)c(=O)oc2c(O)c(O)ccc12.
What is the InChIKey of 3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one?
The InChIKey is IIGBIRZCEMSKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O8/c1-7-9-3-5-11(21)15(23)17(9)27-19(25)13(7)14-8(2)10-4-6-12(22)16(24)18(10)28-20(14)26/h3-6,21-24H,1-2H3.
What are the key properties of 3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one?
3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one has a molecular weight of 382.32 g/mol, XLogP of 3.01, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one is sourced from PubChem (CID 57388516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).