2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol

C27H24O5 — CID 20730822

IUPAC2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3O)cc(-c3ccc(OC)cc3O)c2)cc1
InChIInChI=1S/C27H24O5/c1-30-21-6-4-17(5-7-21)18-12-19(24-10-8-22(31-2)15-26(24)28)14-20(13-18)25-11-9-23(32-3)16-27(25)29/h4-16,28-29H,1-3H3
InChIKeyBJGYTVHLZLYTGO-UHFFFAOYSA-N
MW428.48 g/mol
LogP6.12
Rot. Bonds6

About 2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol

2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol (PubChem CID 20730822) has the molecular formula C27H24O5 and a molecular weight of 428.48 g/mol. Its IUPAC name is 2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol
PubChem CID20730822
Molecular FormulaC27H24O5
Molecular Weight428.48 g/mol
Exact Mass428.16
IUPAC Name2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3O)cc(-c3ccc(OC)cc3O)c2)cc1
InChIInChI=1S/C27H24O5/c1-30-21-6-4-17(5-7-21)18-12-19(24-10-8-22(31-2)15-26(24)28)14-20(13-18)25-11-9-23(32-3)16-27(25)29/h4-16,28-29H,1-3H3
InChIKeyBJGYTVHLZLYTGO-UHFFFAOYSA-N
XLogP6.12
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.48
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol?
The IUPAC name of 2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol (CID 20730822) is 2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol.
What is the SMILES notation for 2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol?
The canonical SMILES for 2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol is COc1ccc(-c2cc(-c3ccc(OC)cc3O)cc(-c3ccc(OC)cc3O)c2)cc1.
What is the InChIKey of 2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol?
The InChIKey is BJGYTVHLZLYTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O5/c1-30-21-6-4-17(5-7-21)18-12-19(24-10-8-22(31-2)15-26(24)28)14-20(13-18)25-11-9-23(32-3)16-27(25)29/h4-16,28-29H,1-3H3.
What are the key properties of 2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol?
2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol has a molecular weight of 428.48 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol is sourced from PubChem (CID 20730822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).