2,4-dibromo-6-[[(2R)-2-hydroxy-2-phenylethyl]iminomethyl]phenol

C15H13Br2NO2 — CID 1368022

IUPAC2,4-dibromo-6-[[(2R)-2-hydroxy-2-phenylethyl]iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/C[C@H](O)c1ccccc1
InChIInChI=1S/C15H13Br2NO2/c16-12-6-11(15(20)13(17)7-12)8-18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19-20H,9H2/b18-8+/t14-/m0/s1
InChIKeyNBUJMAQCOVITLI-PVJNQWLSSA-N
MW399.08 g/mol
LogP4.07
Rot. Bonds4

About 2,4-dibromo-6-[[(2R)-2-hydroxy-2-phenylethyl]iminomethyl]phenol

2,4-dibromo-6-[[(2R)-2-hydroxy-2-phenylethyl]iminomethyl]phenol (PubChem CID 1368022) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 2,4-dibromo-6-[[(2R)-2-hydroxy-2-phenylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[[(2R)-2-hydroxy-2-phenylethyl]iminomethyl]phenol
PubChem CID1368022
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name2,4-dibromo-6-[[(2R)-2-hydroxy-2-phenylethyl]iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/C[C@H](O)c1ccccc1
InChIInChI=1S/C15H13Br2NO2/c16-12-6-11(15(20)13(17)7-12)8-18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19-20H,9H2/b18-8+/t14-/m0/s1
InChIKeyNBUJMAQCOVITLI-PVJNQWLSSA-N
XLogP4.07
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[[(2R)-2-hydroxy-2-phenylethyl]iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[[(2R)-2-hydroxy-2-phenylethyl]iminomethyl]phenol (CID 1368022) is 2,4-dibromo-6-[[(2R)-2-hydroxy-2-phenylethyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[[(2R)-2-hydroxy-2-phenylethyl]iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[[(2R)-2-hydroxy-2-phenylethyl]iminomethyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/C[C@H](O)c1ccccc1.
What is the InChIKey of 2,4-dibromo-6-[[(2R)-2-hydroxy-2-phenylethyl]iminomethyl]phenol?
The InChIKey is NBUJMAQCOVITLI-PVJNQWLSSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c16-12-6-11(15(20)13(17)7-12)8-18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19-20H,9H2/b18-8+/t14-/m0/s1.
What are the key properties of 2,4-dibromo-6-[[(2R)-2-hydroxy-2-phenylethyl]iminomethyl]phenol?
2,4-dibromo-6-[[(2R)-2-hydroxy-2-phenylethyl]iminomethyl]phenol has a molecular weight of 399.08 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[[(2R)-2-hydroxy-2-phenylethyl]iminomethyl]phenol is sourced from PubChem (CID 1368022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).