5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol

C18H12Br3NO3 — CID 71416248

IUPAC5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol
SMILESOc1cc(Br)ccc1N(c1ccc(Br)cc1O)c1ccc(Br)cc1O
InChIInChI=1S/C18H12Br3NO3/c19-10-1-4-13(16(23)7-10)22(14-5-2-11(20)8-17(14)24)15-6-3-12(21)9-18(15)25/h1-9,23-25H
InChIKeyYUYHRKPEUZWWCX-UHFFFAOYSA-N
MW530.01 g/mol
LogP6.56
Rot. Bonds3

About 5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol

5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol (PubChem CID 71416248) has the molecular formula C18H12Br3NO3 and a molecular weight of 530.01 g/mol. Its IUPAC name is 5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol.

Molecular Properties

Compound Name5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol
PubChem CID71416248
Molecular FormulaC18H12Br3NO3
Molecular Weight530.01 g/mol
Exact Mass526.84
IUPAC Name5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol
SMILESOc1cc(Br)ccc1N(c1ccc(Br)cc1O)c1ccc(Br)cc1O
InChIInChI=1S/C18H12Br3NO3/c19-10-1-4-13(16(23)7-10)22(14-5-2-11(20)8-17(14)24)15-6-3-12(21)9-18(15)25/h1-9,23-25H
InChIKeyYUYHRKPEUZWWCX-UHFFFAOYSA-N
XLogP6.56
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.01
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol
CID 155428457
CID 175102486
CID 175102486
CID 156868368
CID 156868368
5-bromo-2-hydroperoxyphenol
CID 88803523
4-bromo-2-(diethylamino)phenol
CID 174675295
2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline
CID 14223742
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153
5-bromo-2-methylsulfanylphenol
CID 21187949
4-bromo-2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]phenol
CID 23471173
2,4-dibromophenol;methanol
CID 174690931
4-bromo-1,2-dideuteriooxybenzene
CID 168744345
2-amino-5-bromophenol;2-methylpropane
CID 143907828

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol?
The IUPAC name of 5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol (CID 71416248) is 5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol.
What is the SMILES notation for 5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol?
The canonical SMILES for 5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol is Oc1cc(Br)ccc1N(c1ccc(Br)cc1O)c1ccc(Br)cc1O.
What is the InChIKey of 5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol?
The InChIKey is YUYHRKPEUZWWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br3NO3/c19-10-1-4-13(16(23)7-10)22(14-5-2-11(20)8-17(14)24)15-6-3-12(21)9-18(15)25/h1-9,23-25H.
What are the key properties of 5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol?
5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol has a molecular weight of 530.01 g/mol, XLogP of 6.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol is sourced from PubChem (CID 71416248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).