4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol

C15H14BrCl2NO — CID 43126610

IUPAC4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol
SMILESCCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(O)cc1
InChIInChI=1S/C15H14BrCl2NO/c1-2-14(9-3-5-11(20)6-4-9)19-15-12(17)7-10(16)8-13(15)18/h3-8,14,19-20H,2H2,1H3
InChIKeyZHWPXZBIGMCFPY-UHFFFAOYSA-N
MW375.09 g/mol
LogP6.02
Rot. Bonds4

About 4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol

4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol (PubChem CID 43126610) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol.

Molecular Properties

Compound Name4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol
PubChem CID43126610
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol
SMILESCCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(O)cc1
InChIInChI=1S/C15H14BrCl2NO/c1-2-14(9-3-5-11(20)6-4-9)19-15-12(17)7-10(16)8-13(15)18/h3-8,14,19-20H,2H2,1H3
InChIKeyZHWPXZBIGMCFPY-UHFFFAOYSA-N
XLogP6.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.09
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol?
The IUPAC name of 4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol (CID 43126610) is 4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol.
What is the SMILES notation for 4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol?
The canonical SMILES for 4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol is CCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol?
The InChIKey is ZHWPXZBIGMCFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c1-2-14(9-3-5-11(20)6-4-9)19-15-12(17)7-10(16)8-13(15)18/h3-8,14,19-20H,2H2,1H3.
What are the key properties of 4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol?
4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol has a molecular weight of 375.09 g/mol, XLogP of 6.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol is sourced from PubChem (CID 43126610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).