4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol

C13H10BrCl2NO2 — CID 28993144

IUPAC4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol
SMILESOc1ccc(CNc2c(Cl)cc(Br)cc2Cl)c(O)c1
InChIInChI=1S/C13H10BrCl2NO2/c14-8-3-10(15)13(11(16)4-8)17-6-7-1-2-9(18)5-12(7)19/h1-5,17-19H,6H2
InChIKeyHFMRZCBXVHPWTA-UHFFFAOYSA-N
MW363.04 g/mol
LogP4.78
Rot. Bonds3

About 4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol

4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol (PubChem CID 28993144) has the molecular formula C13H10BrCl2NO2 and a molecular weight of 363.04 g/mol. Its IUPAC name is 4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol
PubChem CID28993144
Molecular FormulaC13H10BrCl2NO2
Molecular Weight363.04 g/mol
Exact Mass360.93
IUPAC Name4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol
SMILESOc1ccc(CNc2c(Cl)cc(Br)cc2Cl)c(O)c1
InChIInChI=1S/C13H10BrCl2NO2/c14-8-3-10(15)13(11(16)4-8)17-6-7-1-2-9(18)5-12(7)19/h1-5,17-19H,6H2
InChIKeyHFMRZCBXVHPWTA-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': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[(2,6-dichloro-4-fluoroanilino)methyl]benzene-1,3-diol
CID 83077129
4-[(4-bromo-2,6-difluoroanilino)methyl]benzene-1,3-diol
CID 65468517
2-[(4-bromo-2,6-dichloroanilino)methyl]-6-chlorophenol
CID 112606366
2-[(4-bromo-2,6-dichloroanilino)methyl]-3-chlorophenol
CID 114317923
4-[(2,6-dibromo-4-methylanilino)methyl]benzene-1,3-diol
CID 28984202
3-bromo-4-[(4-bromo-2,6-dichloroanilino)methyl]benzoic acid
CID 103236930
4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline
CID 28993216
5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol
CID 63425254
4-[(4-chloro-3-fluoroanilino)methyl]benzene-1,3-diol
CID 43721464
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
4-[(2-hydroxyanilino)methyl]benzene-1,3-diol
CID 21321428
2-[(4-bromo-2,6-difluoroanilino)methyl]phenol
CID 65468718

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol?
The IUPAC name of 4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol (CID 28993144) is 4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol is Oc1ccc(CNc2c(Cl)cc(Br)cc2Cl)c(O)c1.
What is the InChIKey of 4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol?
The InChIKey is HFMRZCBXVHPWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2/c14-8-3-10(15)13(11(16)4-8)17-6-7-1-2-9(18)5-12(7)19/h1-5,17-19H,6H2.
What are the key properties of 4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol?
4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol 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-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol is sourced from PubChem (CID 28993144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).