2,4-ditert-butyl-6-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)phenol

C23H34O — CID 175029114

IUPAC2,4-ditert-butyl-6-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)phenol
SMILESCC1=CC(C)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C(C)=C1C
InChIInChI=1S/C23H34O/c1-14-13-23(10,16(3)15(14)2)19-12-17(21(4,5)6)11-18(20(19)24)22(7,8)9/h11-13,24H,1-10H3
InChIKeyFIEFPZQMNZXEFJ-UHFFFAOYSA-N
MW326.52 g/mol
LogP6.54
Rot. Bonds1

About 2,4-ditert-butyl-6-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)phenol

2,4-ditert-butyl-6-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)phenol (PubChem CID 175029114) has the molecular formula C23H34O and a molecular weight of 326.52 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)phenol
PubChem CID175029114
Molecular FormulaC23H34O
Molecular Weight326.52 g/mol
Exact Mass326.26
IUPAC Name2,4-ditert-butyl-6-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)phenol
SMILESCC1=CC(C)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C(C)=C1C
InChIInChI=1S/C23H34O/c1-14-13-23(10,16(3)15(14)2)19-12-17(21(4,5)6)11-18(20(19)24)22(7,8)9/h11-13,24H,1-10H3
InChIKeyFIEFPZQMNZXEFJ-UHFFFAOYSA-N
XLogP6.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 135046337
CID 135046337
2,4-ditert-butyl-6-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenol;titanium(2+);dichloride
CID 158755314
4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol
CID 11236289
CID 158661910
CID 158661910
2,4-ditert-butyl-6-(methylamino)phenol
CID 57470249
2,4-ditert-butyl-6-(dimethylamino)phenol
CID 14270373
2,4-ditert-butyl-6-[1-(3-tert-butyl-8,8-dimethyl-7-oxabicyclo[4.2.0]octa-1,3,5-trien-5-yl)ethyl]phenol;O-phosphanylhydroxylamine
CID 145362093
2,6-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 19352850
4-(3,5-ditert-butyl-4-hydroxyphenyl)-6-(3,5-ditert-butylphenyl)-2,5-dimethylbenzene-1,3-diol
CID 142599441
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)phenol?
The IUPAC name of 2,4-ditert-butyl-6-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)phenol (CID 175029114) is 2,4-ditert-butyl-6-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)phenol?
The canonical SMILES for 2,4-ditert-butyl-6-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)phenol is CC1=CC(C)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C(C)=C1C.
What is the InChIKey of 2,4-ditert-butyl-6-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)phenol?
The InChIKey is FIEFPZQMNZXEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O/c1-14-13-23(10,16(3)15(14)2)19-12-17(21(4,5)6)11-18(20(19)24)22(7,8)9/h11-13,24H,1-10H3.
What are the key properties of 2,4-ditert-butyl-6-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)phenol?
2,4-ditert-butyl-6-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)phenol has a molecular weight of 326.52 g/mol, XLogP of 6.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)phenol is sourced from PubChem (CID 175029114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).