4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol

C20H26O6 — CID 59848055

IUPAC4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol
SMILESCOCc1cc(-c2cc(COC)c(O)c(COC)c2)cc(COC)c1O
InChIInChI=1S/C20H26O6/c1-23-9-15-5-13(6-16(10-24-2)19(15)21)14-7-17(11-25-3)20(22)18(8-14)12-26-4/h5-8,21-22H,9-12H2,1-4H3
InChIKeyJHIUAEPQGMOWHS-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.35
Rot. Bonds9

About 4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol

4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol (PubChem CID 59848055) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is 4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol.

Molecular Properties

Compound Name4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol
PubChem CID59848055
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol
SMILESCOCc1cc(-c2cc(COC)c(O)c(COC)c2)cc(COC)c1O
InChIInChI=1S/C20H26O6/c1-23-9-15-5-13(6-16(10-24-2)19(15)21)14-7-17(11-25-3)20(22)18(8-14)12-26-4/h5-8,21-22H,9-12H2,1-4H3
InChIKeyJHIUAEPQGMOWHS-UHFFFAOYSA-N
XLogP3.35
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol?
The IUPAC name of 4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol (CID 59848055) is 4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol.
What is the SMILES notation for 4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol?
The canonical SMILES for 4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol is COCc1cc(-c2cc(COC)c(O)c(COC)c2)cc(COC)c1O.
What is the InChIKey of 4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol?
The InChIKey is JHIUAEPQGMOWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6/c1-23-9-15-5-13(6-16(10-24-2)19(15)21)14-7-17(11-25-3)20(22)18(8-14)12-26-4/h5-8,21-22H,9-12H2,1-4H3.
What are the key properties of 4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol?
4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol has a molecular weight of 362.42 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol is sourced from PubChem (CID 59848055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).