2-(2,4,6-trihydroxyphenyl)-4-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]benzene-1,3,5-triol

C24H18O12 — CID 71308278

IUPAC2-(2,4,6-trihydroxyphenyl)-4-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]benzene-1,3,5-triol
SMILESOc1cc(O)c(-c2c(O)cc(O)c(-c3c(O)cc(O)c(-c4c(O)cc(O)cc4O)c3O)c2O)c(O)c1
InChIInChI=1S/C24H18O12/c25-7-1-9(27)17(10(28)2-7)19-13(31)5-15(33)21(23(19)35)22-16(34)6-14(32)20(24(22)36)18-11(29)3-8(26)4-12(18)30/h1-6,25-36H
InChIKeyOZBVFMWAUXWMKV-UHFFFAOYSA-N
MW498.40 g/mol
LogP3.15
Rot. Bonds3

About 2-(2,4,6-trihydroxyphenyl)-4-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]benzene-1,3,5-triol

2-(2,4,6-trihydroxyphenyl)-4-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]benzene-1,3,5-triol (PubChem CID 71308278) has the molecular formula C24H18O12 and a molecular weight of 498.40 g/mol. Its IUPAC name is 2-(2,4,6-trihydroxyphenyl)-4-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]benzene-1,3,5-triol.

Molecular Properties

Compound Name2-(2,4,6-trihydroxyphenyl)-4-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]benzene-1,3,5-triol
PubChem CID71308278
Molecular FormulaC24H18O12
Molecular Weight498.40 g/mol
Exact Mass498.08
IUPAC Name2-(2,4,6-trihydroxyphenyl)-4-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]benzene-1,3,5-triol
SMILESOc1cc(O)c(-c2c(O)cc(O)c(-c3c(O)cc(O)c(-c4c(O)cc(O)cc4O)c3O)c2O)c(O)c1
InChIInChI=1S/C24H18O12/c25-7-1-9(27)17(10(28)2-7)19-13(31)5-15(33)21(23(19)35)22-16(34)6-14(32)20(24(22)36)18-11(29)3-8(26)4-12(18)30/h1-6,25-36H
InChIKeyOZBVFMWAUXWMKV-UHFFFAOYSA-N
XLogP3.15
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500498.40
LogP ≤ 53.15
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trihydroxyphenyl)-4-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]benzene-1,3,5-triol?
The IUPAC name of 2-(2,4,6-trihydroxyphenyl)-4-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]benzene-1,3,5-triol (CID 71308278) is 2-(2,4,6-trihydroxyphenyl)-4-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]benzene-1,3,5-triol.
What is the SMILES notation for 2-(2,4,6-trihydroxyphenyl)-4-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]benzene-1,3,5-triol?
The canonical SMILES for 2-(2,4,6-trihydroxyphenyl)-4-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]benzene-1,3,5-triol is Oc1cc(O)c(-c2c(O)cc(O)c(-c3c(O)cc(O)c(-c4c(O)cc(O)cc4O)c3O)c2O)c(O)c1.
What is the InChIKey of 2-(2,4,6-trihydroxyphenyl)-4-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]benzene-1,3,5-triol?
The InChIKey is OZBVFMWAUXWMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O12/c25-7-1-9(27)17(10(28)2-7)19-13(31)5-15(33)21(23(19)35)22-16(34)6-14(32)20(24(22)36)18-11(29)3-8(26)4-12(18)30/h1-6,25-36H.
What are the key properties of 2-(2,4,6-trihydroxyphenyl)-4-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]benzene-1,3,5-triol?
2-(2,4,6-trihydroxyphenyl)-4-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]benzene-1,3,5-triol has a molecular weight of 498.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trihydroxyphenyl)-4-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]benzene-1,3,5-triol is sourced from PubChem (CID 71308278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).