2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol

C23H24O3 — CID 66868185

IUPAC2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol
SMILESCc1cc(C(C)c2ccccc2O)c(O)c(C(C)c2ccccc2O)c1
InChIInChI=1S/C23H24O3/c1-14-12-19(15(2)17-8-4-6-10-21(17)24)23(26)20(13-14)16(3)18-9-5-7-11-22(18)25/h4-13,15-16,24-26H,1-3H3
InChIKeyFLOYTFHQGVFPRS-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.42
Rot. Bonds4

About 2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol

2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol (PubChem CID 66868185) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol.

Molecular Properties

Compound Name2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol
PubChem CID66868185
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol
SMILESCc1cc(C(C)c2ccccc2O)c(O)c(C(C)c2ccccc2O)c1
InChIInChI=1S/C23H24O3/c1-14-12-19(15(2)17-8-4-6-10-21(17)24)23(26)20(13-14)16(3)18-9-5-7-11-22(18)25/h4-13,15-16,24-26H,1-3H3
InChIKeyFLOYTFHQGVFPRS-UHFFFAOYSA-N
XLogP5.42
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 134109781
2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 10040352
2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol
CID 23156103
2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol
CID 57015067
2-[1-(2-hydroxyphenyl)ethyl]-3-methylphenol
CID 66812750
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol
CID 58819703
bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119
lithium;hydride;2-propan-2-ylphenol
CID 175276368
4-methyl-2-[1-(4-methylphenyl)ethyl]phenol
CID 46930570
2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 122229752
2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol
CID 23156036

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol?
The IUPAC name of 2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol (CID 66868185) is 2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol.
What is the SMILES notation for 2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol?
The canonical SMILES for 2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol is Cc1cc(C(C)c2ccccc2O)c(O)c(C(C)c2ccccc2O)c1.
What is the InChIKey of 2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol?
The InChIKey is FLOYTFHQGVFPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-14-12-19(15(2)17-8-4-6-10-21(17)24)23(26)20(13-14)16(3)18-9-5-7-11-22(18)25/h4-13,15-16,24-26H,1-3H3.
What are the key properties of 2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol?
2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol has a molecular weight of 348.44 g/mol, XLogP of 5.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol is sourced from PubChem (CID 66868185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).