7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one

C21H16O6 — CID 10473941

IUPAC7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
SMILESCc1c(Cc2c(C)c3ccc(O)cc3oc2=O)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C21H16O6/c1-10-14-5-3-12(22)7-18(14)26-20(24)16(10)9-17-11(2)15-6-4-13(23)8-19(15)27-21(17)25/h3-8,22-23H,9H2,1-2H3
InChIKeyJKZMVPBPGREBRV-UHFFFAOYSA-N
MW364.35 g/mol
LogP3.52
Rot. Bonds2

About 7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one

7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one (PubChem CID 10473941) has the molecular formula C21H16O6 and a molecular weight of 364.35 g/mol. Its IUPAC name is 7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
PubChem CID10473941
Molecular FormulaC21H16O6
Molecular Weight364.35 g/mol
Exact Mass364.09
IUPAC Name7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
SMILESCc1c(Cc2c(C)c3ccc(O)cc3oc2=O)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C21H16O6/c1-10-14-5-3-12(22)7-18(14)26-20(24)16(10)9-17-11(2)15-6-4-13(23)8-19(15)27-21(17)25/h3-8,22-23H,9H2,1-2H3
InChIKeyJKZMVPBPGREBRV-UHFFFAOYSA-N
XLogP3.52
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838
CID 88930307
CID 88930307
7-hydroxy-3-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-methylchromen-2-one
CID 71664587
5-(7-hydroxy-4-methyl-2-oxochromen-3-yl)pentanoic acid
CID 174692829
3-[(5-amino-3-pyridinyl)methyl]-7-hydroxy-4-methylchromen-2-one
CID 131848941
4-ethyl-7-hydroxy-3-methylchromen-2-one
CID 13309299
7-hydroxy-4-methyl-3-phosphanylchromen-2-one
CID 88515701
7-hydroxy-3,4-bis(hydroxymethyl)chromen-2-one
CID 58676736
7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
CID 10221024
N-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 87181337
(2S)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid
CID 5417121
2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetic acid
CID 5417130

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one?
The IUPAC name of 7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one (CID 10473941) is 7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one.
What is the SMILES notation for 7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one?
The canonical SMILES for 7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one is Cc1c(Cc2c(C)c3ccc(O)cc3oc2=O)c(=O)oc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one?
The InChIKey is JKZMVPBPGREBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O6/c1-10-14-5-3-12(22)7-18(14)26-20(24)16(10)9-17-11(2)15-6-4-13(23)8-19(15)27-21(17)25/h3-8,22-23H,9H2,1-2H3.
What are the key properties of 7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one?
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one has a molecular weight of 364.35 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one is sourced from PubChem (CID 10473941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).