6-[[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl]-4-hydroxypyran-2-one

C20H16O8 — CID 54715766

IUPAC6-[[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl]-4-hydroxypyran-2-one
SMILESCc1cc(O)cc(O)c1C(=O)c1c(O)cc(O)cc1Cc1cc(O)cc(=O)o1
InChIInChI=1S/C20H16O8/c1-9-2-11(21)6-15(24)18(9)20(27)19-10(3-12(22)7-16(19)25)4-14-5-13(23)8-17(26)28-14/h2-3,5-8,21-25H,4H2,1H3
InChIKeyFJDDUXMREGIDCD-UHFFFAOYSA-N
MW384.34 g/mol
LogP2.30
Rot. Bonds4

About 6-[[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl]-4-hydroxypyran-2-one

6-[[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl]-4-hydroxypyran-2-one (PubChem CID 54715766) has the molecular formula C20H16O8 and a molecular weight of 384.34 g/mol. Its IUPAC name is 6-[[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl]-4-hydroxypyran-2-one.

Molecular Properties

Compound Name6-[[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl]-4-hydroxypyran-2-one
PubChem CID54715766
Molecular FormulaC20H16O8
Molecular Weight384.34 g/mol
Exact Mass384.08
IUPAC Name6-[[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl]-4-hydroxypyran-2-one
SMILESCc1cc(O)cc(O)c1C(=O)c1c(O)cc(O)cc1Cc1cc(O)cc(=O)o1
InChIInChI=1S/C20H16O8/c1-9-2-11(21)6-15(24)18(9)20(27)19-10(3-12(22)7-16(19)25)4-14-5-13(23)8-17(26)28-14/h2-3,5-8,21-25H,4H2,1H3
InChIKeyFJDDUXMREGIDCD-UHFFFAOYSA-N
XLogP2.30
TPSA148.43 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 52.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl]-4-hydroxypyran-2-one?
The IUPAC name of 6-[[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl]-4-hydroxypyran-2-one (CID 54715766) is 6-[[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl]-4-hydroxypyran-2-one.
What is the SMILES notation for 6-[[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl]-4-hydroxypyran-2-one?
The canonical SMILES for 6-[[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl]-4-hydroxypyran-2-one is Cc1cc(O)cc(O)c1C(=O)c1c(O)cc(O)cc1Cc1cc(O)cc(=O)o1.
What is the InChIKey of 6-[[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl]-4-hydroxypyran-2-one?
The InChIKey is FJDDUXMREGIDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O8/c1-9-2-11(21)6-15(24)18(9)20(27)19-10(3-12(22)7-16(19)25)4-14-5-13(23)8-17(26)28-14/h2-3,5-8,21-25H,4H2,1H3.
What are the key properties of 6-[[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl]-4-hydroxypyran-2-one?
6-[[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl]-4-hydroxypyran-2-one has a molecular weight of 384.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl]-4-hydroxypyran-2-one is sourced from PubChem (CID 54715766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).