2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol

C40H44O5 — CID 144564644

IUPAC2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol
SMILESCO.Cc1cc(Cc2cc(C)c(O)c(Cc3ccc(O)cc3)c2)c(O)c(Cc2cc(Cc3ccc(O)c(C)c3)cc(C)c2C)c1
InChIInChI=1S/C39H40O4.CH4O/c1-23-12-33(20-31-16-26(4)38(42)35(21-31)18-28-6-9-36(40)10-7-28)39(43)34(13-23)22-32-19-30(14-24(2)27(32)5)17-29-8-11-37(41)25(3)15-29;1-2/h6-16,19,21,40-43H,17-18,20,22H2,1-5H3;2H,1H3
InChIKeyCVXZLMSNLRQXKF-UHFFFAOYSA-N
MW604.79 g/mol
LogP8.02
Rot. Bonds8

About 2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol

2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol (PubChem CID 144564644) has the molecular formula C40H44O5 and a molecular weight of 604.79 g/mol. Its IUPAC name is 2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol.

Molecular Properties

Compound Name2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol
PubChem CID144564644
Molecular FormulaC40H44O5
Molecular Weight604.79 g/mol
Exact Mass604.32
IUPAC Name2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol
SMILESCO.Cc1cc(Cc2cc(C)c(O)c(Cc3ccc(O)cc3)c2)c(O)c(Cc2cc(Cc3ccc(O)c(C)c3)cc(C)c2C)c1
InChIInChI=1S/C39H40O4.CH4O/c1-23-12-33(20-31-16-26(4)38(42)35(21-31)18-28-6-9-36(40)10-7-28)39(43)34(13-23)22-32-19-30(14-24(2)27(32)5)17-29-8-11-37(41)25(3)15-29;1-2/h6-16,19,21,40-43H,17-18,20,22H2,1-5H3;2H,1H3
InChIKeyCVXZLMSNLRQXKF-UHFFFAOYSA-N
XLogP8.02
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.79
LogP ≤ 58.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 15965769
2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 22925864
4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol
CID 157135640
2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 20743757
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
sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide
CID 160639309
2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 158735527
carbanide;2-[[5-[[5-[[5-[[3-[(5-ethyl-2-hydroxy-3-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-4,6-dimethylphenol;bis(titanium(2+))
CID 59071786
2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 134464799
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
2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;4,6-bis[(4-hydroxy-3-methylphenyl)methyl]-2-methylbenzene-1,3-diol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol;2-[2-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]sulfanyl-6-[(4-hydroxyphenyl)methyl]-4-methylphenol
CID 161131582

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol?
The IUPAC name of 2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol (CID 144564644) is 2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol.
What is the SMILES notation for 2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol?
The canonical SMILES for 2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol is CO.Cc1cc(Cc2cc(C)c(O)c(Cc3ccc(O)cc3)c2)c(O)c(Cc2cc(Cc3ccc(O)c(C)c3)cc(C)c2C)c1.
What is the InChIKey of 2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol?
The InChIKey is CVXZLMSNLRQXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40O4.CH4O/c1-23-12-33(20-31-16-26(4)38(42)35(21-31)18-28-6-9-36(40)10-7-28)39(43)34(13-23)22-32-19-30(14-24(2)27(32)5)17-29-8-11-37(41)25(3)15-29;1-2/h6-16,19,21,40-43H,17-18,20,22H2,1-5H3;2H,1H3.
What are the key properties of 2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol?
2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol has a molecular weight of 604.79 g/mol, XLogP of 8.02, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol is sourced from PubChem (CID 144564644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).