5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol

C66H46O38 — CID 162973517

IUPAC5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol
SMILESOc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(Oc4cc(O)c(O)c(O)c4Oc4cc(O)c(Oc5cc(O)c(O)c(O)c5Oc5cc(O)c(Oc6cc(O)c(O)c(O)c6Oc6cc(O)c(Oc7cc(O)c(O)c(O)c7)c(O)c6)c(O)c5)c(O)c4)c(O)c3)c(O)c2)c(O)c1
InChIInChI=1S/C66H46O38/c67-19-1-32(74)57(33(75)2-19)96-21-5-36(78)59(37(79)6-21)101-45-16-29(71)50(88)54(92)64(45)98-23-9-40(82)61(41(83)10-23)103-47-18-31(73)52(90)56(94)66(47)100-25-13-42(84)62(43(85)14-25)104-46-17-30(72)51(89)55(93)65(46)99-24-11-38(80)60(39(81)12-24)102-44-15-28(70)49(87)53(91)63(44)97-22-7-34(76)58(35(77)8-22)95-20-3-26(68)48(86)27(69)4-20/h1-18,67-94H
InChIKeyPSSOXYOQMBIFBK-UHFFFAOYSA-N
MW1447.06 g/mol
LogP11.37
Rot. Bonds20

About 5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol

5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol (PubChem CID 162973517) has the molecular formula C66H46O38 and a molecular weight of 1447.06 g/mol. Its IUPAC name is 5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol.

Molecular Properties

Compound Name5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol
PubChem CID162973517
Molecular FormulaC66H46O38
Molecular Weight1447.06 g/mol
Exact Mass1446.17
IUPAC Name5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol
SMILESOc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(Oc4cc(O)c(O)c(O)c4Oc4cc(O)c(Oc5cc(O)c(O)c(O)c5Oc5cc(O)c(Oc6cc(O)c(O)c(O)c6Oc6cc(O)c(Oc7cc(O)c(O)c(O)c7)c(O)c6)c(O)c5)c(O)c4)c(O)c3)c(O)c2)c(O)c1
InChIInChI=1S/C66H46O38/c67-19-1-32(74)57(33(75)2-19)96-21-5-36(78)59(37(79)6-21)101-45-16-29(71)50(88)54(92)64(45)98-23-9-40(82)61(41(83)10-23)103-47-18-31(73)52(90)56(94)66(47)100-25-13-42(84)62(43(85)14-25)104-46-17-30(72)51(89)55(93)65(46)99-24-11-38(80)60(39(81)12-24)102-44-15-28(70)49(87)53(91)63(44)97-22-7-34(76)58(35(77)8-22)95-20-3-26(68)48(86)27(69)4-20/h1-18,67-94H
InChIKeyPSSOXYOQMBIFBK-UHFFFAOYSA-N
XLogP11.37
TPSA658.74 Ų
H-Bond Donors28
H-Bond Acceptors38
Rotatable Bonds20
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001447.06
LogP ≤ 511.37
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol?
The IUPAC name of 5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol (CID 162973517) is 5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol.
What is the SMILES notation for 5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol?
The canonical SMILES for 5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol is Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(Oc4cc(O)c(O)c(O)c4Oc4cc(O)c(Oc5cc(O)c(O)c(O)c5Oc5cc(O)c(Oc6cc(O)c(O)c(O)c6Oc6cc(O)c(Oc7cc(O)c(O)c(O)c7)c(O)c6)c(O)c5)c(O)c4)c(O)c3)c(O)c2)c(O)c1.
What is the InChIKey of 5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol?
The InChIKey is PSSOXYOQMBIFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46O38/c67-19-1-32(74)57(33(75)2-19)96-21-5-36(78)59(37(79)6-21)101-45-16-29(71)50(88)54(92)64(45)98-23-9-40(82)61(41(83)10-23)103-47-18-31(73)52(90)56(94)66(47)100-25-13-42(84)62(43(85)14-25)104-46-17-30(72)51(89)55(93)65(46)99-24-11-38(80)60(39(81)12-24)102-44-15-28(70)49(87)53(91)63(44)97-22-7-34(76)58(35(77)8-22)95-20-3-26(68)48(86)27(69)4-20/h1-18,67-94H.
What are the key properties of 5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol?
5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol has a molecular weight of 1447.06 g/mol, XLogP of 11.37, 20 rotatable bonds, 28 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol is sourced from PubChem (CID 162973517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).