4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol

C36H24O18 — CID 178056833

IUPAC4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol
SMILESOc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2-c2c(O)cc(O)cc2Oc2c(O)cc(O)c3c2Oc2c(O)cc(O)cc2O3)c(O)c1
InChIInChI=1S/C36H24O18/c37-12-3-19(44)31(20(45)4-12)52-27-9-15(40)5-21(46)32(27)50-25-7-13(38)1-17(42)29(25)30-18(43)2-14(39)8-26(30)51-34-23(48)11-24(49)35-36(34)54-33-22(47)6-16(41)10-28(33)53-35/h1-11,37-49H
InChIKeyQLGIECDJHIBHGL-UHFFFAOYSA-N
MW744.57 g/mol
LogP6.80
Rot. Bonds7

About 4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol

4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol (PubChem CID 178056833) has the molecular formula C36H24O18 and a molecular weight of 744.57 g/mol. Its IUPAC name is 4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol.

Molecular Properties

Compound Name4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol
PubChem CID178056833
Molecular FormulaC36H24O18
Molecular Weight744.57 g/mol
Exact Mass744.10
IUPAC Name4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol
SMILESOc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2-c2c(O)cc(O)cc2Oc2c(O)cc(O)c3c2Oc2c(O)cc(O)cc2O3)c(O)c1
InChIInChI=1S/C36H24O18/c37-12-3-19(44)31(20(45)4-12)52-27-9-15(40)5-21(46)32(27)50-25-7-13(38)1-17(42)29(25)30-18(43)2-14(39)8-26(30)51-34-23(48)11-24(49)35-36(34)54-33-22(47)6-16(41)10-28(33)53-35/h1-11,37-49H
InChIKeyQLGIECDJHIBHGL-UHFFFAOYSA-N
XLogP6.80
TPSA309.14 Ų
H-Bond Donors13
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500744.57
LogP ≤ 56.80
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1018

Analyze 4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,5-dihydroxyphenoxy)-9-[6-(3,5-dihydroxyphenoxy)-2,4,9-trihydroxy-7-(2,4,6-trihydroxyphenoxy)dibenzo-p-dioxin-1-yl]dibenzo-p-dioxin-1,3,6,8-tetrol;9-(3,5-dihydroxyphenoxy)-8-(2,4,6-trihydroxyphenoxy)dibenzo-p-dioxin-1,3,6-triol
CID 163546226
9-(3,5-dihydroxyphenoxy)-4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol
CID 71510983
4-(3,5-dihydroxy-4-methylphenoxy)dibenzo-p-dioxin-1,3,6,8-tetrol;ethane
CID 142349982
4-(3,5-dihydroxyphenoxy)-9-[7-(2,6-dihydroxyphenoxy)-6-(3,5-dihydroxyphenoxy)-2,4,9-trihydroxydibenzo-p-dioxin-1-yl]dibenzo-p-dioxin-1,3,6,8-tetrol
CID 144963641
4,8-bis(3,5-dihydroxyphenoxy)dibenzo-p-dioxin-1,3,6-triol;4-(3,5-dihydroxyphenoxy)-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol;9-(3,5-dihydroxyphenoxy)-2-[9-(3,5-dihydroxyphenoxy)-1,3,6,8-tetrahydroxydibenzo-p-dioxin-2-yl]dibenzo-p-dioxin-1,3,6,8-tetrol
CID 163936136
[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,10,12-pentol;4,9-bis(3,5-dihydroxyphenoxy)-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol;4-[4-[6-(3,5-dihydroxyphenoxy)-4,7,9-trihydroxydibenzo-p-dioxin-2-yl]oxy-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol
CID 11982503
2-(2,3,5-trihydroxyphenoxy)benzene-1,3,5-triol
CID 170899509
7-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3-(2,4,6-trihydroxyphenoxy)dibenzo-p-dioxin-1,2,6,8-tetrol
CID 102104044
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
5-[3,4-dihydroxy-5-(3,4,5-trihydroxyphenoxy)phenoxy]-4-[4-[6-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-2,3,4-trihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,2,3-triol
CID 162918569
4-[4-[6-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-2,3,4-trihydroxyphenoxy]-2,6-dihydroxyphenoxy]-5-[3,4-dihydroxy-5-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy]benzene-1,2,3-triol
CID 163031048
2-(4-hydroxyphenoxy)benzene-1,3,5-triol
CID 14020522

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol?
The IUPAC name of 4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol (CID 178056833) is 4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol.
What is the SMILES notation for 4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol?
The canonical SMILES for 4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol is Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2-c2c(O)cc(O)cc2Oc2c(O)cc(O)c3c2Oc2c(O)cc(O)cc2O3)c(O)c1.
What is the InChIKey of 4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol?
The InChIKey is QLGIECDJHIBHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O18/c37-12-3-19(44)31(20(45)4-12)52-27-9-15(40)5-21(46)32(27)50-25-7-13(38)1-17(42)29(25)30-18(43)2-14(39)8-26(30)51-34-23(48)11-24(49)35-36(34)54-33-22(47)6-16(41)10-28(33)53-35/h1-11,37-49H.
What are the key properties of 4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol?
4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol has a molecular weight of 744.57 g/mol, XLogP of 6.80, 7 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol is sourced from PubChem (CID 178056833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).