2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol

C23H24O3 — CID 22925864

IUPAC2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
SMILESCc1cc(Cc2cc(C)c(O)c(Cc3ccc(O)c(C)c3)c2)ccc1O
InChIInChI=1S/C23H24O3/c1-14-8-17(4-6-21(14)24)11-19-10-16(3)23(26)20(13-19)12-18-5-7-22(25)15(2)9-18/h4-10,13,24-26H,11-12H2,1-3H3
InChIKeyOOASSMLLQOPYKU-UHFFFAOYSA-N
MW348.44 g/mol
LogP4.91
Rot. Bonds4

About 2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol

2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol (PubChem CID 22925864) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol.

Molecular Properties

Compound Name2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
PubChem CID22925864
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
SMILESCc1cc(Cc2cc(C)c(O)c(Cc3ccc(O)c(C)c3)c2)ccc1O
InChIInChI=1S/C23H24O3/c1-14-8-17(4-6-21(14)24)11-19-10-16(3)23(26)20(13-19)12-18-5-7-22(25)15(2)9-18/h4-10,13,24-26H,11-12H2,1-3H3
InChIKeyOOASSMLLQOPYKU-UHFFFAOYSA-N
XLogP4.91
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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
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-[[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
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711
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-[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-[[3-[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol
CID 68895070
2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 159058899
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731
2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 20743757
4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 22278094
2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 134464799

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol?
The IUPAC name of 2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol (CID 22925864) is 2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol.
What is the SMILES notation for 2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol?
The canonical SMILES for 2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol is Cc1cc(Cc2cc(C)c(O)c(Cc3ccc(O)c(C)c3)c2)ccc1O.
What is the InChIKey of 2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol?
The InChIKey is OOASSMLLQOPYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-14-8-17(4-6-21(14)24)11-19-10-16(3)23(26)20(13-19)12-18-5-7-22(25)15(2)9-18/h4-10,13,24-26H,11-12H2,1-3H3.
What are the key properties of 2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol?
2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol has a molecular weight of 348.44 g/mol, XLogP of 4.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol is sourced from PubChem (CID 22925864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).