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

C28H26O7 — CID 23538420

IUPAC2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
SMILESCOc1ccc(COc2ccc(-c3c(OC)cc(-c4ccc(O)cc4)c(OC)c3O)cc2O)cc1
InChIInChI=1S/C28H26O7/c1-32-21-11-4-17(5-12-21)16-35-24-13-8-19(14-23(24)30)26-25(33-2)15-22(28(34-3)27(26)31)18-6-9-20(29)10-7-18/h4-15,29-31H,16H2,1-3H3
InChIKeyDOMTZKFNZKKVOK-UHFFFAOYSA-N
MW474.51 g/mol
LogP5.74
Rot. Bonds8

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

2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol (PubChem CID 23538420) has the molecular formula C28H26O7 and a molecular weight of 474.51 g/mol. Its IUPAC name is 2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol.

Molecular Properties

Compound Name2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
PubChem CID23538420
Molecular FormulaC28H26O7
Molecular Weight474.51 g/mol
Exact Mass474.17
IUPAC Name2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
SMILESCOc1ccc(COc2ccc(-c3c(OC)cc(-c4ccc(O)cc4)c(OC)c3O)cc2O)cc1
InChIInChI=1S/C28H26O7/c1-32-21-11-4-17(5-12-21)16-35-24-13-8-19(14-23(24)30)26-25(33-2)15-22(28(34-3)27(26)31)18-6-9-20(29)10-7-18/h4-15,29-31H,16H2,1-3H3
InChIKeyDOMTZKFNZKKVOK-UHFFFAOYSA-N
XLogP5.74
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.51
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23539246
5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol
CID 23539239
5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol
CID 23539221
2-[3-hydroxy-4-(3-methylbutoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538433
5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol
CID 23538718
2-[3-hydroxy-4-(3-methylbut-3-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538412
2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538669
2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538414
2-[4-[(Z)-4-chlorobut-2-enoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 58666110
5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol
CID 23539224
5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol
CID 23539231
2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxy-5-(4-nitrophenyl)phenol
CID 23538576

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
The IUPAC name of 2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol (CID 23538420) is 2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol.
What is the SMILES notation for 2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
The canonical SMILES for 2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol is COc1ccc(COc2ccc(-c3c(OC)cc(-c4ccc(O)cc4)c(OC)c3O)cc2O)cc1.
What is the InChIKey of 2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
The InChIKey is DOMTZKFNZKKVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O7/c1-32-21-11-4-17(5-12-21)16-35-24-13-8-19(14-23(24)30)26-25(33-2)15-22(28(34-3)27(26)31)18-6-9-20(29)10-7-18/h4-15,29-31H,16H2,1-3H3.
What are the key properties of 2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol has a molecular weight of 474.51 g/mol, XLogP of 5.74, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol is sourced from PubChem (CID 23538420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).