2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol

C35H47BrO2 — CID 177499122

IUPAC2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(C(c2ccccc2Br)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C35H47BrO2/c1-32(2,3)21-17-24(30(37)26(19-21)34(7,8)9)29(23-15-13-14-16-28(23)36)25-18-22(33(4,5)6)20-27(31(25)38)35(10,11)12/h13-20,29,37-38H,1-12H3
InChIKeyHLZDMHFCVGKRPA-UHFFFAOYSA-N
MW579.66 g/mol
LogP10.23
Rot. Bonds3

About 2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol

2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol (PubChem CID 177499122) has the molecular formula C35H47BrO2 and a molecular weight of 579.66 g/mol. Its IUPAC name is 2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol.

Molecular Properties

Compound Name2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol
PubChem CID177499122
Molecular FormulaC35H47BrO2
Molecular Weight579.66 g/mol
Exact Mass578.28
IUPAC Name2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(C(c2ccccc2Br)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C35H47BrO2/c1-32(2,3)21-17-24(30(37)26(19-21)34(7,8)9)29(23-15-13-14-16-28(23)36)25-18-22(33(4,5)6)20-27(31(25)38)35(10,11)12/h13-20,29,37-38H,1-12H3
InChIKeyHLZDMHFCVGKRPA-UHFFFAOYSA-N
XLogP10.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.66
LogP ≤ 510.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenyl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol
CID 102598730
2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol
CID 12057284
bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine
CID 174939437
2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 122229752
CID 158661910
CID 158661910
2-(3,5-ditert-butyl-2-hydroxyphenyl)propanedinitrile
CID 13414640
2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-ditert-butylphenol;hydrochloride
CID 171247011
2-[(1S)-1-amino-2,2-difluoroethyl]-4,6-ditert-butylphenol;hydrochloride
CID 171247002
2-[(1S)-1-amino-2-hydroxyethyl]-4,6-ditert-butylphenol
CID 66515999
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-ditert-butylphenol
CID 171261580
4-[(2-bromophenyl)-(1,2,4-triazol-1-yl)methyl]-2,6-ditert-butylphenol
CID 146170306
2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
CID 91693696

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol?
The IUPAC name of 2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol (CID 177499122) is 2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol.
What is the SMILES notation for 2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol?
The canonical SMILES for 2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol is CC(C)(C)c1cc(C(c2ccccc2Br)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol?
The InChIKey is HLZDMHFCVGKRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47BrO2/c1-32(2,3)21-17-24(30(37)26(19-21)34(7,8)9)29(23-15-13-14-16-28(23)36)25-18-22(33(4,5)6)20-27(31(25)38)35(10,11)12/h13-20,29,37-38H,1-12H3.
What are the key properties of 2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol?
2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol has a molecular weight of 579.66 g/mol, XLogP of 10.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol is sourced from PubChem (CID 177499122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).