2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol

C65H70O7 — CID 90781009

IUPAC2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol
SMILESCc1cc(Cc2c(C)c(Cc3cc(C)c(O)c(Cc4cc(C)c(O)c(C)c4)c3C)cc(C)c2O)cc(C)c1O.Cc1cc(Cc2cc(-c3ccccc3)cc(Cc3cc(C)c(O)c(C)c3)c2O)cc(C)c1O
InChIInChI=1S/C35H40O4.C30H30O3/c1-18-9-26(10-19(2)32(18)36)15-30-24(7)28(13-22(5)34(30)38)17-29-14-23(6)35(39)31(25(29)8)16-27-11-20(3)33(37)21(4)12-27;1-18-10-22(11-19(2)28(18)31)14-26-16-25(24-8-6-5-7-9-24)17-27(30(26)33)15-23-12-20(3)29(32)21(4)13-23/h9-14,36-39H,15-17H2,1-8H3;5-13,16-17,31-33H,14-15H2,1-4H3
InChIKeyYSGSHBVBVTYWPX-UHFFFAOYSA-N
MW963.27 g/mol
LogP14.63
Rot. Bonds11

About 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol

2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol (PubChem CID 90781009) has the molecular formula C65H70O7 and a molecular weight of 963.27 g/mol. Its IUPAC name is 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol
PubChem CID90781009
Molecular FormulaC65H70O7
Molecular Weight963.27 g/mol
Exact Mass962.51
IUPAC Name2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol
SMILESCc1cc(Cc2c(C)c(Cc3cc(C)c(O)c(Cc4cc(C)c(O)c(C)c4)c3C)cc(C)c2O)cc(C)c1O.Cc1cc(Cc2cc(-c3ccccc3)cc(Cc3cc(C)c(O)c(C)c3)c2O)cc(C)c1O
InChIInChI=1S/C35H40O4.C30H30O3/c1-18-9-26(10-19(2)32(18)36)15-30-24(7)28(13-22(5)34(30)38)17-29-14-23(6)35(39)31(25(29)8)16-27-11-20(3)33(37)21(4)12-27;1-18-10-22(11-19(2)28(18)31)14-26-16-25(24-8-6-5-7-9-24)17-27(30(26)33)15-23-12-20(3)29(32)21(4)13-23/h9-14,36-39H,15-17H2,1-8H3;5-13,16-17,31-33H,14-15H2,1-4H3
InChIKeyYSGSHBVBVTYWPX-UHFFFAOYSA-N
XLogP14.63
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500963.27
LogP ≤ 514.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol with MolForge

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Related Compounds

4-[2-[3,5-bis[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol
CID 158556044
4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol
CID 58205477
4-[[2-hydroxy-3-[[4-hydroxy-3-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol
CID 59689291
4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol
CID 22925753
3,4-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol
CID 166059112
4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol
CID 22601831
2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 20743757
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol
CID 22925950
4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol
CID 88656560
2-benzyl-3,4-diethyl-6-methylphenol
CID 71428370
4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 22278094

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol?
The IUPAC name of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol (CID 90781009) is 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol?
The canonical SMILES for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol is Cc1cc(Cc2c(C)c(Cc3cc(C)c(O)c(Cc4cc(C)c(O)c(C)c4)c3C)cc(C)c2O)cc(C)c1O.Cc1cc(Cc2cc(-c3ccccc3)cc(Cc3cc(C)c(O)c(C)c3)c2O)cc(C)c1O.
What is the InChIKey of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol?
The InChIKey is YSGSHBVBVTYWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40O4.C30H30O3/c1-18-9-26(10-19(2)32(18)36)15-30-24(7)28(13-22(5)34(30)38)17-29-14-23(6)35(39)31(25(29)8)16-27-11-20(3)33(37)21(4)12-27;1-18-10-22(11-19(2)28(18)31)14-26-16-25(24-8-6-5-7-9-24)17-27(30(26)33)15-23-12-20(3)29(32)21(4)13-23/h9-14,36-39H,15-17H2,1-8H3;5-13,16-17,31-33H,14-15H2,1-4H3.
What are the key properties of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol?
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol has a molecular weight of 963.27 g/mol, XLogP of 14.63, 11 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 90781009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).