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

C24H18O9 — CID 139830586

IUPAC5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol
SMILESOc1cc(O)cc(Oc2cc(Oc3cc(O)cc(O)c3)cc(Oc3cc(O)cc(O)c3)c2)c1
InChIInChI=1S/C24H18O9/c25-13-1-14(26)5-19(4-13)31-22-10-23(32-20-6-15(27)2-16(28)7-20)12-24(11-22)33-21-8-17(29)3-18(30)9-21/h1-12,25-30H
InChIKeyDHSWBNUHFLMXNZ-UHFFFAOYSA-N
MW450.40 g/mol
LogP5.30
Rot. Bonds6

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

5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol (PubChem CID 139830586) has the molecular formula C24H18O9 and a molecular weight of 450.40 g/mol. Its IUPAC name is 5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol.

Molecular Properties

Compound Name5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol
PubChem CID139830586
Molecular FormulaC24H18O9
Molecular Weight450.40 g/mol
Exact Mass450.10
IUPAC Name5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol
SMILESOc1cc(O)cc(Oc2cc(Oc3cc(O)cc(O)c3)cc(Oc3cc(O)cc(O)c3)c2)c1
InChIInChI=1S/C24H18O9/c25-13-1-14(26)5-19(4-13)31-22-10-23(32-20-6-15(27)2-16(28)7-20)12-24(11-22)33-21-8-17(29)3-18(30)9-21/h1-12,25-30H
InChIKeyDHSWBNUHFLMXNZ-UHFFFAOYSA-N
XLogP5.30
TPSA149.07 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500450.40
LogP ≤ 55.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol
CID 139830617
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
5-(4-chlorophenoxy)benzene-1,3-diol
CID 123195227
benzene-1,3,5-triol
CID 359
5-[4-[3,5-bis[4-(3,5-dihydroxyphenoxy)butoxy]phenoxy]butoxy]benzene-1,3-diol
CID 53305209
CID 70471879
CID 70471879
5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol
CID 101498559
[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate
CID 15126366
3-(3-hydroxy-5-pentylphenoxy)-5-pentylphenol
CID 22559423
3,5-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 169438397
5-[[3-[[3-[[3,5-bis[[3,5-bis[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenoxy]methyl]-5-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(3,5-dihydroxyphenyl)methoxy]phenoxy]methyl]benzene-1,3-diol
CID 58912216
(3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate
CID 21396999

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol?
The IUPAC name of 5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol (CID 139830586) is 5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol.
What is the SMILES notation for 5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol?
The canonical SMILES for 5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol is Oc1cc(O)cc(Oc2cc(Oc3cc(O)cc(O)c3)cc(Oc3cc(O)cc(O)c3)c2)c1.
What is the InChIKey of 5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol?
The InChIKey is DHSWBNUHFLMXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O9/c25-13-1-14(26)5-19(4-13)31-22-10-23(32-20-6-15(27)2-16(28)7-20)12-24(11-22)33-21-8-17(29)3-18(30)9-21/h1-12,25-30H.
What are the key properties of 5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol?
5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol has a molecular weight of 450.40 g/mol, XLogP of 5.30, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol is sourced from PubChem (CID 139830586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).