2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol

C23H23BrO2 — CID 122229752

IUPAC2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(c2ccccc2Br)c2cc(C)cc(C)c2O)c1
InChIInChI=1S/C23H23BrO2/c1-13-9-15(3)22(25)18(11-13)21(17-7-5-6-8-20(17)24)19-12-14(2)10-16(4)23(19)26/h5-12,21,25-26H,1-4H3
InChIKeyGISHLZANBSXWPX-UHFFFAOYSA-N
MW411.34 g/mol
LogP6.27
Rot. Bonds3

About 2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol

2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol (PubChem CID 122229752) has the molecular formula C23H23BrO2 and a molecular weight of 411.34 g/mol. Its IUPAC name is 2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
PubChem CID122229752
Molecular FormulaC23H23BrO2
Molecular Weight411.34 g/mol
Exact Mass410.09
IUPAC Name2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(c2ccccc2Br)c2cc(C)cc(C)c2O)c1
InChIInChI=1S/C23H23BrO2/c1-13-9-15(3)22(25)18(11-13)21(17-7-5-6-8-20(17)24)19-12-14(2)10-16(4)23(19)26/h5-12,21,25-26H,1-4H3
InChIKeyGISHLZANBSXWPX-UHFFFAOYSA-N
XLogP6.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.34
LogP ≤ 56.27
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-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol
CID 23600058
2-[(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethyl]-4,6-dimethylphenol
CID 19351800
2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene
CID 63431891
2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 23600091
2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol
CID 177499122
ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol
CID 143591911
[1-(2-bromophenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105208762
2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol
CID 135038178
2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 66868185
(2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680488
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
(1S)-1-(2-bromophenyl)ethanol
CID 6950331

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol?
The IUPAC name of 2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol (CID 122229752) is 2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(C(c2ccccc2Br)c2cc(C)cc(C)c2O)c1.
What is the InChIKey of 2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol?
The InChIKey is GISHLZANBSXWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrO2/c1-13-9-15(3)22(25)18(11-13)21(17-7-5-6-8-20(17)24)19-12-14(2)10-16(4)23(19)26/h5-12,21,25-26H,1-4H3.
What are the key properties of 2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol?
2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol has a molecular weight of 411.34 g/mol, XLogP of 6.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol is sourced from PubChem (CID 122229752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).