4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one

C19H16O7 — CID 54677203

IUPAC4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one
SMILESCc1cc(O)c(C(c2cccc(O)c2)c2c(O)cc(C)oc2=O)c(=O)o1
InChIInChI=1S/C19H16O7/c1-9-6-13(21)16(18(23)25-9)15(11-4-3-5-12(20)8-11)17-14(22)7-10(2)26-19(17)24/h3-8,15,20-22H,1-2H3
InChIKeyODKOYHWILJUJHP-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.51
Rot. Bonds3

About 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one

4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one (PubChem CID 54677203) has the molecular formula C19H16O7 and a molecular weight of 356.33 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one
PubChem CID54677203
Molecular FormulaC19H16O7
Molecular Weight356.33 g/mol
Exact Mass356.09
IUPAC Name4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one
SMILESCc1cc(O)c(C(c2cccc(O)c2)c2c(O)cc(C)oc2=O)c(=O)o1
InChIInChI=1S/C19H16O7/c1-9-6-13(21)16(18(23)25-9)15(11-4-3-5-12(20)8-11)17-14(22)7-10(2)26-19(17)24/h3-8,15,20-22H,1-2H3
InChIKeyODKOYHWILJUJHP-UHFFFAOYSA-N
XLogP2.51
TPSA121.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-thiophen-3-ylmethyl]-6-methylpyran-2-one
CID 139080571
4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one
CID 54720674
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(4-phenylmethoxyphenyl)methyl]-6-methylpyran-2-one
CID 122372555
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-thiophen-2-ylmethyl]-6-methylpyran-2-one
CID 54708571
2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol
CID 22338935
3-[(3,5-ditert-butyl-4-hydroxyphenyl)-(4-hydroxyphenyl)methyl]-4-hydroxy-6-methylpyran-2-one
CID 54704968
6-hydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-pyridin-3-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 163201135
3-[[3-[bis(4,7-dihydroxy-2-oxochromen-3-yl)methyl]phenyl]-(4,7-dihydroxy-2-oxochromen-3-yl)methyl]-4,7-dihydroxychromen-2-one
CID 54738681
5-[(4-chlorophenyl)-(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 163201146
2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione
CID 122377232
4-[(3-hydroxyphenyl)-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one
CID 126373279
4-hydroxy-6-methyl-3-[(1R)-3-(1-oxidopyridin-1-ium-2-yl)-3-oxo-1-phenylpropyl]pyran-2-one
CID 71506167

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one (CID 54677203) is 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one is Cc1cc(O)c(C(c2cccc(O)c2)c2c(O)cc(C)oc2=O)c(=O)o1.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one?
The InChIKey is ODKOYHWILJUJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O7/c1-9-6-13(21)16(18(23)25-9)15(11-4-3-5-12(20)8-11)17-14(22)7-10(2)26-19(17)24/h3-8,15,20-22H,1-2H3.
What are the key properties of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one?
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one has a molecular weight of 356.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one is sourced from PubChem (CID 54677203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).