2,4,6-tris[1-(2-methylphenyl)ethyl]phenol

C33H36O — CID 3020609

IUPAC2,4,6-tris[1-(2-methylphenyl)ethyl]phenol
SMILESCc1ccccc1C(C)c1cc(C(C)c2ccccc2C)c(O)c(C(C)c2ccccc2C)c1
InChIInChI=1S/C33H36O/c1-21-13-7-10-16-28(21)24(4)27-19-31(25(5)29-17-11-8-14-22(29)2)33(34)32(20-27)26(6)30-18-12-9-15-23(30)3/h7-20,24-26,34H,1-6H3
InChIKeyZTULFNZHLNQJQG-UHFFFAOYSA-N
MW448.65 g/mol
LogP8.77
Rot. Bonds6

About 2,4,6-tris[1-(2-methylphenyl)ethyl]phenol

2,4,6-tris[1-(2-methylphenyl)ethyl]phenol (PubChem CID 3020609) has the molecular formula C33H36O and a molecular weight of 448.65 g/mol. Its IUPAC name is 2,4,6-tris[1-(2-methylphenyl)ethyl]phenol.

Molecular Properties

Compound Name2,4,6-tris[1-(2-methylphenyl)ethyl]phenol
PubChem CID3020609
Molecular FormulaC33H36O
Molecular Weight448.65 g/mol
Exact Mass448.28
IUPAC Name2,4,6-tris[1-(2-methylphenyl)ethyl]phenol
SMILESCc1ccccc1C(C)c1cc(C(C)c2ccccc2C)c(O)c(C(C)c2ccccc2C)c1
InChIInChI=1S/C33H36O/c1-21-13-7-10-16-28(21)24(4)27-19-31(25(5)29-17-11-8-14-22(29)2)33(34)32(20-27)26(6)30-18-12-9-15-23(30)3/h7-20,24-26,34H,1-6H3
InChIKeyZTULFNZHLNQJQG-UHFFFAOYSA-N
XLogP8.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.65
LogP ≤ 58.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Magnolol
CID 72300
Honokiol
CID 72303
9-Phenanthrol
CID 10229
1-Hydroxypyrene
CID 21387
Bisphenol C
CID 6620
4,4'-Butylidenebis(3-methyl-6-tert-butylphenol)
CID 6815
(+)-Totarol
CID 92783
4,4'-Isopropylidenedi-2,6-xylol
CID 79717
4,4'-Methylenebis(2,6-di-tert-butylphenol)
CID 8372
1,1'-Methylenebis(2-naphthalenol)
CID 14187
1,1,1-Tris(4-hydroxyphenyl)ethane
CID 93118
4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol
CID 634278

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[1-(2-methylphenyl)ethyl]phenol?
The IUPAC name of 2,4,6-tris[1-(2-methylphenyl)ethyl]phenol (CID 3020609) is 2,4,6-tris[1-(2-methylphenyl)ethyl]phenol.
What is the SMILES notation for 2,4,6-tris[1-(2-methylphenyl)ethyl]phenol?
The canonical SMILES for 2,4,6-tris[1-(2-methylphenyl)ethyl]phenol is Cc1ccccc1C(C)c1cc(C(C)c2ccccc2C)c(O)c(C(C)c2ccccc2C)c1.
What is the InChIKey of 2,4,6-tris[1-(2-methylphenyl)ethyl]phenol?
The InChIKey is ZTULFNZHLNQJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O/c1-21-13-7-10-16-28(21)24(4)27-19-31(25(5)29-17-11-8-14-22(29)2)33(34)32(20-27)26(6)30-18-12-9-15-23(30)3/h7-20,24-26,34H,1-6H3.
What are the key properties of 2,4,6-tris[1-(2-methylphenyl)ethyl]phenol?
2,4,6-tris[1-(2-methylphenyl)ethyl]phenol has a molecular weight of 448.65 g/mol, XLogP of 8.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[1-(2-methylphenyl)ethyl]phenol is sourced from PubChem (CID 3020609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).