4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol

C13H10BrCl2NO2 — CID 107678911

IUPAC4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol
SMILESOc1ccc(CNc2cc(Cl)c(O)c(Cl)c2)cc1Br
InChIInChI=1S/C13H10BrCl2NO2/c14-9-3-7(1-2-12(9)18)6-17-8-4-10(15)13(19)11(16)5-8/h1-5,17-19H,6H2
InChIKeyKLHIIKYYAWQMDB-UHFFFAOYSA-N
MW363.04 g/mol
LogP4.78
Rot. Bonds3

About 4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol

4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol (PubChem CID 107678911) has the molecular formula C13H10BrCl2NO2 and a molecular weight of 363.04 g/mol. Its IUPAC name is 4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol.

Molecular Properties

Compound Name4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol
PubChem CID107678911
Molecular FormulaC13H10BrCl2NO2
Molecular Weight363.04 g/mol
Exact Mass360.93
IUPAC Name4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol
SMILESOc1ccc(CNc2cc(Cl)c(O)c(Cl)c2)cc1Br
InChIInChI=1S/C13H10BrCl2NO2/c14-9-3-7(1-2-12(9)18)6-17-8-4-10(15)13(19)11(16)5-8/h1-5,17-19H,6H2
InChIKeyKLHIIKYYAWQMDB-UHFFFAOYSA-N
XLogP4.78
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.04
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-[(3-chloro-4-hydroxyanilino)methyl]phenol
CID 107677992
4-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorophenol
CID 107678809
2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol
CID 107621009
2-bromo-4-[(3-chloro-4-propan-2-yloxyanilino)methyl]phenol
CID 60981482
2-bromo-4-[(4-methylanilino)methyl]phenol
CID 55025634
2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378
2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol
CID 63046915
2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol
CID 63046192
2-chloro-4-[(4-chloro-3-fluorophenyl)methylamino]phenol
CID 107678415
4-[(3-bromo-4-fluoroanilino)methyl]-2-chlorophenol
CID 113451871
4-[(3-bromo-4-hydroxyphenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107788143
3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide
CID 63045684

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol?
The IUPAC name of 4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol (CID 107678911) is 4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol.
What is the SMILES notation for 4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol?
The canonical SMILES for 4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol is Oc1ccc(CNc2cc(Cl)c(O)c(Cl)c2)cc1Br.
What is the InChIKey of 4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol?
The InChIKey is KLHIIKYYAWQMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2/c14-9-3-7(1-2-12(9)18)6-17-8-4-10(15)13(19)11(16)5-8/h1-5,17-19H,6H2.
What are the key properties of 4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol?
4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol has a molecular weight of 363.04 g/mol, XLogP of 4.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol is sourced from PubChem (CID 107678911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).