2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol

C26H24N2O6 — CID 23538414

IUPAC2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
SMILESCOc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2nccnc2C)c(O)c1
InChIInChI=1S/C26H24N2O6/c1-15-20(28-11-10-27-15)14-34-22-9-6-17(12-21(22)30)24-23(32-2)13-19(26(33-3)25(24)31)16-4-7-18(29)8-5-16/h4-13,29-31H,14H2,1-3H3
InChIKeyCNAVQBRGZXDUIP-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.83
Rot. Bonds7

About 2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol

2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol (PubChem CID 23538414) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is 2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol.

Molecular Properties

Compound Name2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
PubChem CID23538414
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC Name2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
SMILESCOc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2nccnc2C)c(O)c1
InChIInChI=1S/C26H24N2O6/c1-15-20(28-11-10-27-15)14-34-22-9-6-17(12-21(22)30)24-23(32-2)13-19(26(33-3)25(24)31)16-4-7-18(29)8-5-16/h4-13,29-31H,14H2,1-3H3
InChIKeyCNAVQBRGZXDUIP-UHFFFAOYSA-N
XLogP4.83
TPSA114.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
The IUPAC name of 2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol (CID 23538414) is 2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol.
What is the SMILES notation for 2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
The canonical SMILES for 2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol is COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2nccnc2C)c(O)c1.
What is the InChIKey of 2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
The InChIKey is CNAVQBRGZXDUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6/c1-15-20(28-11-10-27-15)14-34-22-9-6-17(12-21(22)30)24-23(32-2)13-19(26(33-3)25(24)31)16-4-7-18(29)8-5-16/h4-13,29-31H,14H2,1-3H3.
What are the key properties of 2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol has a molecular weight of 460.49 g/mol, XLogP of 4.83, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol is sourced from PubChem (CID 23538414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).