4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one

C23H20O6 — CID 54736430

IUPAC4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one
SMILESCc1cc2oc(=O)c(Cc3c(O)c4cc(C)c(C)cc4oc3=O)c(O)c2cc1C
InChIInChI=1S/C23H20O6/c1-10-5-14-18(7-12(10)3)28-22(26)16(20(14)24)9-17-21(25)15-6-11(2)13(4)8-19(15)29-23(17)27/h5-8,24-25H,9H2,1-4H3
InChIKeyDYDUFLRXXWEPTB-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.14
Rot. Bonds2

About 4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one

4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one (PubChem CID 54736430) has the molecular formula C23H20O6 and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one
PubChem CID54736430
Molecular FormulaC23H20O6
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC Name4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one
SMILESCc1cc2oc(=O)c(Cc3c(O)c4cc(C)c(C)cc4oc3=O)c(O)c2cc1C
InChIInChI=1S/C23H20O6/c1-10-5-14-18(7-12(10)3)28-22(26)16(20(14)24)9-17-21(25)15-6-11(2)13(4)8-19(15)29-23(17)27/h5-8,24-25H,9H2,1-4H3
InChIKeyDYDUFLRXXWEPTB-UHFFFAOYSA-N
XLogP4.14
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.14
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

4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)chromen-2-one
CID 54736423
4-hydroxy-3-[1-(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)-2-nitrosoethyl]-6,7-dimethylchromen-2-one
CID 91298838
3,4,7-trihydroxy-6-methylchromen-2-one
CID 156582420
4,6-dihydroxy-3,7-dimethylchromen-2-one
CID 102497049
1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone
CID 90143254
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one
CID 137098680
6-hydroxy-4,7-dimethyl-3-propylchromen-2-one
CID 3066744
4-hydroxy-3-[(3-methylphenyl)methyl]chromen-2-one
CID 173160792
4-hydroxy-3-[(4-methylphenyl)methyl]chromen-2-one
CID 76852674
3-benzyl-4-hydroxychromen-2-one;ethane
CID 91487265
4-hydroxy-3-[[3-[(4-hydroxy-2-oxochromen-3-yl)methyl]phenyl]methyl]chromen-2-one
CID 54706563

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one (CID 54736430) is 4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one is Cc1cc2oc(=O)c(Cc3c(O)c4cc(C)c(C)cc4oc3=O)c(O)c2cc1C.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one?
The InChIKey is DYDUFLRXXWEPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O6/c1-10-5-14-18(7-12(10)3)28-22(26)16(20(14)24)9-17-21(25)15-6-11(2)13(4)8-19(15)29-23(17)27/h5-8,24-25H,9H2,1-4H3.
What are the key properties of 4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one?
4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one has a molecular weight of 392.41 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one is sourced from PubChem (CID 54736430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).