5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol

C30H30O6 — CID 23539221

IUPAC5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol
SMILESCOc1cc(-c2cc(C)c(O)c(C)c2)c(OC)c(O)c1-c1ccc(OCc2ccc(C)cc2)c(O)c1
InChIInChI=1S/C30H30O6/c1-17-6-8-20(9-7-17)16-36-25-11-10-21(14-24(25)31)27-26(34-4)15-23(30(35-5)29(27)33)22-12-18(2)28(32)19(3)13-22/h6-15,31-33H,16H2,1-5H3
InChIKeyVTQHYKQWJNUULE-UHFFFAOYSA-N
MW486.56 g/mol
LogP6.66
Rot. Bonds7

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

5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol (PubChem CID 23539221) has the molecular formula C30H30O6 and a molecular weight of 486.56 g/mol. Its IUPAC name is 5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol.

Molecular Properties

Compound Name5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol
PubChem CID23539221
Molecular FormulaC30H30O6
Molecular Weight486.56 g/mol
Exact Mass486.20
IUPAC Name5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol
SMILESCOc1cc(-c2cc(C)c(O)c(C)c2)c(OC)c(O)c1-c1ccc(OCc2ccc(C)cc2)c(O)c1
InChIInChI=1S/C30H30O6/c1-17-6-8-20(9-7-17)16-36-25-11-10-21(14-24(25)31)27-26(34-4)15-23(30(35-5)29(27)33)22-12-18(2)28(32)19(3)13-22/h6-15,31-33H,16H2,1-5H3
InChIKeyVTQHYKQWJNUULE-UHFFFAOYSA-N
XLogP6.66
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.56
LogP ≤ 56.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23539246
2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538420
5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol
CID 23539239
2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol
CID 20686625
2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxy-5-(4-nitrophenyl)phenol
CID 23538576
5-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol
CID 23539254
2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538414
2-[3-hydroxy-4-(3-methylbutoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538433
2-[3-hydroxy-4-(3-methylbut-3-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538412
2-[4-[(Z)-4-chlorobut-2-enoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 58666110
2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538669
5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol
CID 23539224

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol?
The IUPAC name of 5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol (CID 23539221) is 5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol.
What is the SMILES notation for 5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol?
The canonical SMILES for 5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol is COc1cc(-c2cc(C)c(O)c(C)c2)c(OC)c(O)c1-c1ccc(OCc2ccc(C)cc2)c(O)c1.
What is the InChIKey of 5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol?
The InChIKey is VTQHYKQWJNUULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O6/c1-17-6-8-20(9-7-17)16-36-25-11-10-21(14-24(25)31)27-26(34-4)15-23(30(35-5)29(27)33)22-12-18(2)28(32)19(3)13-22/h6-15,31-33H,16H2,1-5H3.
What are the key properties of 5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol?
5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol has a molecular weight of 486.56 g/mol, XLogP of 6.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol is sourced from PubChem (CID 23539221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).