3-[2-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol

C36H34O6 — CID 102316538

IUPAC3-[2-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol
SMILESCOc1cc(O)c(Cc2ccc(O)cc2)c(CCc2cc(Cc3ccc(O)cc3)ccc2O)c1Cc1ccc(O)cc1
InChIInChI=1S/C36H34O6/c1-42-36-22-35(41)32(20-24-4-12-29(38)13-5-24)31(33(36)21-25-6-14-30(39)15-7-25)16-9-27-19-26(8-17-34(27)40)18-23-2-10-28(37)11-3-23/h2-8,10-15,17,19,22,37-41H,9,16,18,20-21H2,1H3
InChIKeyQFXPPSCDJDJEAX-UHFFFAOYSA-N
MW562.66 g/mol
LogP6.78
Rot. Bonds10

About 3-[2-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol

3-[2-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol (PubChem CID 102316538) has the molecular formula C36H34O6 and a molecular weight of 562.66 g/mol. Its IUPAC name is 3-[2-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name3-[2-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol
PubChem CID102316538
Molecular FormulaC36H34O6
Molecular Weight562.66 g/mol
Exact Mass562.24
IUPAC Name3-[2-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol
SMILESCOc1cc(O)c(Cc2ccc(O)cc2)c(CCc2cc(Cc3ccc(O)cc3)ccc2O)c1Cc1ccc(O)cc1
InChIInChI=1S/C36H34O6/c1-42-36-22-35(41)32(20-24-4-12-29(38)13-5-24)31(33(36)21-25-6-14-30(39)15-7-25)16-9-27-19-26(8-17-34(27)40)18-23-2-10-28(37)11-3-23/h2-8,10-15,17,19,22,37-41H,9,16,18,20-21H2,1H3
InChIKeyQFXPPSCDJDJEAX-UHFFFAOYSA-N
XLogP6.78
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.66
LogP ≤ 56.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

Alpha-Viniferin
CID 196402
4-Methoxy-9,10-Dihydrophenanthrene-2,7-Diol
CID 11390848
Glabrene
CID 480774
Lusianthridin
CID 442702
Vitisin A
CID 16131430
Longistyline C
CID 6446720
Epsilon-Viniferin
CID 5281728
Batatasin Iv
CID 181271
2,7-Dihydroxy-4,6-dimethoxyphenanthrene
CID 44572330
6-Hydroxy-2,4,7-trimethoxyphenanthrene
CID 442694
cis-Miyabenol C
CID 5388319
Delta-Viniferin
CID 10095474

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol?
The IUPAC name of 3-[2-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol (CID 102316538) is 3-[2-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol.
What is the SMILES notation for 3-[2-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol?
The canonical SMILES for 3-[2-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol is COc1cc(O)c(Cc2ccc(O)cc2)c(CCc2cc(Cc3ccc(O)cc3)ccc2O)c1Cc1ccc(O)cc1.
What is the InChIKey of 3-[2-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol?
The InChIKey is QFXPPSCDJDJEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O6/c1-42-36-22-35(41)32(20-24-4-12-29(38)13-5-24)31(33(36)21-25-6-14-30(39)15-7-25)16-9-27-19-26(8-17-34(27)40)18-23-2-10-28(37)11-3-23/h2-8,10-15,17,19,22,37-41H,9,16,18,20-21H2,1H3.
What are the key properties of 3-[2-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol?
3-[2-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol has a molecular weight of 562.66 g/mol, XLogP of 6.78, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol is sourced from PubChem (CID 102316538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).