4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine

C30H27N3O6 — CID 139196420

IUPAC4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(OC)n1.Oc1ccc(-c2cc(-c3ccc(O)cc3)cc(-c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C24H18O3.C6H9N3O3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18;1-10-4-7-5(11-2)9-6(8-4)12-3/h1-15,25-27H;1-3H3
InChIKeyOJJQCZINDFSTNW-UHFFFAOYSA-N
MW525.56 g/mol
LogP5.70
Rot. Bonds6

About 4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine

4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine (PubChem CID 139196420) has the molecular formula C30H27N3O6 and a molecular weight of 525.56 g/mol. Its IUPAC name is 4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine
PubChem CID139196420
Molecular FormulaC30H27N3O6
Molecular Weight525.56 g/mol
Exact Mass525.19
IUPAC Name4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(OC)n1.Oc1ccc(-c2cc(-c3ccc(O)cc3)cc(-c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C24H18O3.C6H9N3O3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18;1-10-4-7-5(11-2)9-6(8-4)12-3/h1-15,25-27H;1-3H3
InChIKeyOJJQCZINDFSTNW-UHFFFAOYSA-N
XLogP5.70
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.56
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine?
The IUPAC name of 4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine (CID 139196420) is 4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine.
What is the SMILES notation for 4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine?
The canonical SMILES for 4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine is COc1nc(OC)nc(OC)n1.Oc1ccc(-c2cc(-c3ccc(O)cc3)cc(-c3ccc(O)cc3)c2)cc1.
What is the InChIKey of 4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine?
The InChIKey is OJJQCZINDFSTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O3.C6H9N3O3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18;1-10-4-7-5(11-2)9-6(8-4)12-3/h1-15,25-27H;1-3H3.
What are the key properties of 4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine?
4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine has a molecular weight of 525.56 g/mol, XLogP of 5.70, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine is sourced from PubChem (CID 139196420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).