5-[4-bromo-2,5-bis(dimethylamino)phenyl]-2-phenylmethoxyphenol

C23H25BrN2O2 — CID 23538768

IUPAC5-[4-bromo-2,5-bis(dimethylamino)phenyl]-2-phenylmethoxyphenol
SMILESCN(C)c1cc(-c2ccc(OCc3ccccc3)c(O)c2)c(N(C)C)cc1Br
InChIInChI=1S/C23H25BrN2O2/c1-25(2)20-14-19(24)21(26(3)4)13-18(20)17-10-11-23(22(27)12-17)28-15-16-8-6-5-7-9-16/h5-14,27H,15H2,1-4H3
InChIKeyIAOZEDWXVSOUIC-UHFFFAOYSA-N
MW441.37 g/mol
LogP5.53
Rot. Bonds6

About 5-[4-bromo-2,5-bis(dimethylamino)phenyl]-2-phenylmethoxyphenol

5-[4-bromo-2,5-bis(dimethylamino)phenyl]-2-phenylmethoxyphenol (PubChem CID 23538768) has the molecular formula C23H25BrN2O2 and a molecular weight of 441.37 g/mol. Its IUPAC name is 5-[4-bromo-2,5-bis(dimethylamino)phenyl]-2-phenylmethoxyphenol.

Molecular Properties

Compound Name5-[4-bromo-2,5-bis(dimethylamino)phenyl]-2-phenylmethoxyphenol
PubChem CID23538768
Molecular FormulaC23H25BrN2O2
Molecular Weight441.37 g/mol
Exact Mass440.11
IUPAC Name5-[4-bromo-2,5-bis(dimethylamino)phenyl]-2-phenylmethoxyphenol
SMILESCN(C)c1cc(-c2ccc(OCc3ccccc3)c(O)c2)c(N(C)C)cc1Br
InChIInChI=1S/C23H25BrN2O2/c1-25(2)20-14-19(24)21(26(3)4)13-18(20)17-10-11-23(22(27)12-17)28-15-16-8-6-5-7-9-16/h5-14,27H,15H2,1-4H3
InChIKeyIAOZEDWXVSOUIC-UHFFFAOYSA-N
XLogP5.53
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.37
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[2,5-bis(dimethylamino)-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate
CID 23538689
5-phenyl-2-phenylmethoxyphenol
CID 11994792
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
2-bromo-3-methyl-4-phenylmethoxyphenol
CID 150350676
5-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol
CID 23539254
2-chloro-5-(2-phenylmethoxyphenyl)phenol
CID 53221551
ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174428998
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
5-bromo-3-phenylmethoxybenzene-1,2-diol
CID 86049780
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
5-(methylideneamino)-2-phenylmethoxyphenol
CID 129131703
1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene
CID 121324732

Frequently Asked Questions

What is the IUPAC name of 5-[4-bromo-2,5-bis(dimethylamino)phenyl]-2-phenylmethoxyphenol?
The IUPAC name of 5-[4-bromo-2,5-bis(dimethylamino)phenyl]-2-phenylmethoxyphenol (CID 23538768) is 5-[4-bromo-2,5-bis(dimethylamino)phenyl]-2-phenylmethoxyphenol.
What is the SMILES notation for 5-[4-bromo-2,5-bis(dimethylamino)phenyl]-2-phenylmethoxyphenol?
The canonical SMILES for 5-[4-bromo-2,5-bis(dimethylamino)phenyl]-2-phenylmethoxyphenol is CN(C)c1cc(-c2ccc(OCc3ccccc3)c(O)c2)c(N(C)C)cc1Br.
What is the InChIKey of 5-[4-bromo-2,5-bis(dimethylamino)phenyl]-2-phenylmethoxyphenol?
The InChIKey is IAOZEDWXVSOUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O2/c1-25(2)20-14-19(24)21(26(3)4)13-18(20)17-10-11-23(22(27)12-17)28-15-16-8-6-5-7-9-16/h5-14,27H,15H2,1-4H3.
What are the key properties of 5-[4-bromo-2,5-bis(dimethylamino)phenyl]-2-phenylmethoxyphenol?
5-[4-bromo-2,5-bis(dimethylamino)phenyl]-2-phenylmethoxyphenol has a molecular weight of 441.37 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-bromo-2,5-bis(dimethylamino)phenyl]-2-phenylmethoxyphenol is sourced from PubChem (CID 23538768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).