3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol

C21H28O2 — CID 88696322

IUPAC3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol
SMILESCc1cc(C)c(-c2cc(C(C)C)c(O)c(C(C)C)c2)c(C)c1O
InChIInChI=1S/C21H28O2/c1-11(2)17-9-16(10-18(12(3)4)21(17)23)19-13(5)8-14(6)20(22)15(19)7/h8-12,22-23H,1-7H3
InChIKeyZIKIIEVAYMBSJM-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.94
Rot. Bonds3

About 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol

3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol (PubChem CID 88696322) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol.

Molecular Properties

Compound Name3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol
PubChem CID88696322
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol
SMILESCc1cc(C)c(-c2cc(C(C)C)c(O)c(C(C)C)c2)c(C)c1O
InChIInChI=1S/C21H28O2/c1-11(2)17-9-16(10-18(12(3)4)21(17)23)19-13(5)8-14(6)20(22)15(19)7/h8-12,22-23H,1-7H3
InChIKeyZIKIIEVAYMBSJM-UHFFFAOYSA-N
XLogP5.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol
CID 102112540
4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol
CID 58077888
4-iodo-2-methyl-6-propan-2-ylphenol
CID 158347336
4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol
CID 18412872
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol
CID 70978775
2,3,5-trimethylbenzene-1,4-diol
CID 87406815
4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol
CID 145399586
4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol
CID 19003421
4-ethyl-2,6-di(propan-2-yl)phenol
CID 3058292
2-(3-hydroxy-2,4,6-trimethylphenyl)benzene-1,4-diol
CID 101299624

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol?
The IUPAC name of 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol (CID 88696322) is 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol.
What is the SMILES notation for 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol?
The canonical SMILES for 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol is Cc1cc(C)c(-c2cc(C(C)C)c(O)c(C(C)C)c2)c(C)c1O.
What is the InChIKey of 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol?
The InChIKey is ZIKIIEVAYMBSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-11(2)17-9-16(10-18(12(3)4)21(17)23)19-13(5)8-14(6)20(22)15(19)7/h8-12,22-23H,1-7H3.
What are the key properties of 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol?
3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol has a molecular weight of 312.45 g/mol, XLogP of 5.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol is sourced from PubChem (CID 88696322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).