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

C48H34O24 — CID 71655821

IUPAC2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol
SMILESOc1cc(O)cc(Oc2c(O)cc(Oc3c(O)cc(Oc4c(O)cc(Oc5cc(O)c(Oc6cc(O)c(Oc7cc(O)c(Oc8c(O)cc(O)cc8O)c(O)c7)c(O)c6)c(O)c5)cc4O)cc3O)cc2O)c1
InChIInChI=1S/C48H34O24/c49-18-1-19(50)3-21(2-18)67-42-34(58)10-24(11-35(42)59)70-45-36(60)12-25(13-37(45)61)68-43-30(54)6-22(7-31(43)55)66-23-8-32(56)44(33(57)9-23)69-26-14-38(62)46(39(63)15-26)71-27-16-40(64)48(41(65)17-27)72-47-28(52)4-20(51)5-29(47)53/h1-17,49-65H
InChIKeyNUCFZJLNYKZSRF-UHFFFAOYSA-N
MW994.78 g/mol
LogP9.23
Rot. Bonds14

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

2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol (PubChem CID 71655821) has the molecular formula C48H34O24 and a molecular weight of 994.78 g/mol. Its IUPAC name is 2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol.

Molecular Properties

Compound Name2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol
PubChem CID71655821
Molecular FormulaC48H34O24
Molecular Weight994.78 g/mol
Exact Mass994.14
IUPAC Name2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol
SMILESOc1cc(O)cc(Oc2c(O)cc(Oc3c(O)cc(Oc4c(O)cc(Oc5cc(O)c(Oc6cc(O)c(Oc7cc(O)c(Oc8c(O)cc(O)cc8O)c(O)c7)c(O)c6)c(O)c5)cc4O)cc3O)cc2O)c1
InChIInChI=1S/C48H34O24/c49-18-1-19(50)3-21(2-18)67-42-34(58)10-24(11-35(42)59)70-45-36(60)12-25(13-37(45)61)68-43-30(54)6-22(7-31(43)55)66-23-8-32(56)44(33(57)9-23)69-26-14-38(62)46(39(63)15-26)71-27-16-40(64)48(41(65)17-27)72-47-28(52)4-20(51)5-29(47)53/h1-17,49-65H
InChIKeyNUCFZJLNYKZSRF-UHFFFAOYSA-N
XLogP9.23
TPSA408.52 Ų
H-Bond Donors17
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500994.78
LogP ≤ 59.23
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1024

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol?
The IUPAC name of 2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol (CID 71655821) is 2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol.
What is the SMILES notation for 2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol?
The canonical SMILES for 2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol is Oc1cc(O)cc(Oc2c(O)cc(Oc3c(O)cc(Oc4c(O)cc(Oc5cc(O)c(Oc6cc(O)c(Oc7cc(O)c(Oc8c(O)cc(O)cc8O)c(O)c7)c(O)c6)c(O)c5)cc4O)cc3O)cc2O)c1.
What is the InChIKey of 2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol?
The InChIKey is NUCFZJLNYKZSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34O24/c49-18-1-19(50)3-21(2-18)67-42-34(58)10-24(11-35(42)59)70-45-36(60)12-25(13-37(45)61)68-43-30(54)6-22(7-31(43)55)66-23-8-32(56)44(33(57)9-23)69-26-14-38(62)46(39(63)15-26)71-27-16-40(64)48(41(65)17-27)72-47-28(52)4-20(51)5-29(47)53/h1-17,49-65H.
What are the key properties of 2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol?
2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol has a molecular weight of 994.78 g/mol, XLogP of 9.23, 14 rotatable bonds, 17 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol is sourced from PubChem (CID 71655821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).