5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol

C24H18O8 — CID 139830617

IUPAC5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol
SMILESOc1ccc(Oc2cc(Oc3cc(O)cc(O)c3)cc(Oc3cc(O)cc(O)c3)c2)cc1
InChIInChI=1S/C24H18O8/c25-14-1-3-19(4-2-14)30-22-11-23(31-20-7-15(26)5-16(27)8-20)13-24(12-22)32-21-9-17(28)6-18(29)10-21/h1-13,25-29H
InChIKeyYKAZNQIMUGZJSM-UHFFFAOYSA-N
MW434.40 g/mol
LogP5.59
Rot. Bonds6

About 5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol

5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol (PubChem CID 139830617) has the molecular formula C24H18O8 and a molecular weight of 434.40 g/mol. Its IUPAC name is 5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol.

Molecular Properties

Compound Name5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol
PubChem CID139830617
Molecular FormulaC24H18O8
Molecular Weight434.40 g/mol
Exact Mass434.10
IUPAC Name5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol
SMILESOc1ccc(Oc2cc(Oc3cc(O)cc(O)c3)cc(Oc3cc(O)cc(O)c3)c2)cc1
InChIInChI=1S/C24H18O8/c25-14-1-3-19(4-2-14)30-22-11-23(31-20-7-15(26)5-16(27)8-20)13-24(12-22)32-21-9-17(28)6-18(29)10-21/h1-13,25-29H
InChIKeyYKAZNQIMUGZJSM-UHFFFAOYSA-N
XLogP5.59
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.40
LogP ≤ 55.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol?
The IUPAC name of 5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol (CID 139830617) is 5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol.
What is the SMILES notation for 5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol?
The canonical SMILES for 5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol is Oc1ccc(Oc2cc(Oc3cc(O)cc(O)c3)cc(Oc3cc(O)cc(O)c3)c2)cc1.
What is the InChIKey of 5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol?
The InChIKey is YKAZNQIMUGZJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O8/c25-14-1-3-19(4-2-14)30-22-11-23(31-20-7-15(26)5-16(27)8-20)13-24(12-22)32-21-9-17(28)6-18(29)10-21/h1-13,25-29H.
What are the key properties of 5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol?
5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol has a molecular weight of 434.40 g/mol, XLogP of 5.59, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol is sourced from PubChem (CID 139830617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).