4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol

C23H32O2 — CID 141209044

IUPAC4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol
SMILESCc1c(C(C)(C)C)ccc(O)c1Cc1c(O)ccc(C(C)(C)C)c1C
InChIInChI=1S/C23H32O2/c1-14-16(20(24)11-9-18(14)22(3,4)5)13-17-15(2)19(23(6,7)8)10-12-21(17)25/h9-12,24-25H,13H2,1-8H3
InChIKeyHYIYLRKPQAFJEP-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.90
Rot. Bonds2

About 4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol

4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol (PubChem CID 141209044) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol
PubChem CID141209044
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol
SMILESCc1c(C(C)(C)C)ccc(O)c1Cc1c(O)ccc(C(C)(C)C)c1C
InChIInChI=1S/C23H32O2/c1-14-16(20(24)11-9-18(14)22(3,4)5)13-17-15(2)19(23(6,7)8)10-12-21(17)25/h9-12,24-25H,13H2,1-8H3
InChIKeyHYIYLRKPQAFJEP-UHFFFAOYSA-N
XLogP5.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-3-methylbenzene-1,2-diol
CID 21136547
4-tert-butyl-2,3-dioctadecylphenol
CID 22446922
4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol
CID 152642157
3-tert-butyl-6-hydroxy-2-methylbenzoic acid
CID 154313774
4-tert-butyl-2-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3-methylphenol
CID 154698839
4-tert-butyl-2-prop-2-enylbenzene-1,3-diol
CID 88510816
4-[[3,5-bis[(3-tert-butyl-4-hydroxyphenyl)methyl]-2,4-dimethylphenyl]methyl]-2-tert-butylphenol
CID 87564330
4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol
CID 171581939
1-tert-butyl-2,3,4-trimethylbenzene
CID 19367867
1,2,4-tritert-butyl-3-methylbenzene
CID 140854295
2-tert-butylbenzene-1,4-diol;ethanol
CID 158505394
2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide
CID 125466245

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol?
The IUPAC name of 4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol (CID 141209044) is 4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol.
What is the SMILES notation for 4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol?
The canonical SMILES for 4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol is Cc1c(C(C)(C)C)ccc(O)c1Cc1c(O)ccc(C(C)(C)C)c1C.
What is the InChIKey of 4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol?
The InChIKey is HYIYLRKPQAFJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-14-16(20(24)11-9-18(14)22(3,4)5)13-17-15(2)19(23(6,7)8)10-12-21(17)25/h9-12,24-25H,13H2,1-8H3.
What are the key properties of 4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol?
4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol has a molecular weight of 340.51 g/mol, XLogP of 5.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol is sourced from PubChem (CID 141209044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).