3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol

C13H9BrClNO — CID 628372

IUPAC3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol
SMILESOc1cccc(/C=N/c2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C13H9BrClNO/c14-12-5-4-10(7-13(12)15)16-8-9-2-1-3-11(17)6-9/h1-8,17H/b16-8+
InChIKeyNTDSVWZGGPZLQJ-LZYBPNLTSA-N
MW310.58 g/mol
LogP4.56
Rot. Bonds2

About 3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol

3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol (PubChem CID 628372) has the molecular formula C13H9BrClNO and a molecular weight of 310.58 g/mol. Its IUPAC name is 3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol
PubChem CID628372
Molecular FormulaC13H9BrClNO
Molecular Weight310.58 g/mol
Exact Mass308.96
IUPAC Name3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol
SMILESOc1cccc(/C=N/c2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C13H9BrClNO/c14-12-5-4-10(7-13(12)15)16-8-9-2-1-3-11(17)6-9/h1-8,17H/b16-8+
InChIKeyNTDSVWZGGPZLQJ-LZYBPNLTSA-N
XLogP4.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(((4-Bromophenyl)imino)methyl)phenol
CID 13448
4-Bromo-2-{[(4-chlorophenyl)imino]methyl}phenol
CID 305082
2-{(E)-[(4-bromophenyl)imino]methyl}-4-chlorophenol
CID 690138
2-{[(4-Bromophenyl)imino]methyl}-4,6-dichlorophenol
CID 710302
2-{[(2-Bromophenyl)imino]methyl}-4-chlorophenol
CID 786015
4-Bromo-2-{[(3,5-dichlorophenyl)imino]methyl}phenol
CID 710164
4-Bromo-2-{[(3-chloro-4-methylphenyl)imino]methyl}phenol
CID 305080
3-Chloro-N-(2-hydroxybenzylidene)aniline
CID 5127797
2-{(E)-[(2-bromo-4-fluorophenyl)imino]methyl}-4-chlorophenol
CID 2807019
4-(((4-Bromophenyl)imino)methyl)phenol
CID 913462
(E)-2,4-dibromo-6-(((3-chlorophenyl)imino)methyl)phenol
CID 1286578
4-{(E)-[(4-bromo-3-chlorophenyl)imino]methyl}-2-methoxyphenol
CID 681301

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol?
The IUPAC name of 3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol (CID 628372) is 3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol.
What is the SMILES notation for 3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol?
The canonical SMILES for 3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol is Oc1cccc(/C=N/c2ccc(Br)c(Cl)c2)c1.
What is the InChIKey of 3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol?
The InChIKey is NTDSVWZGGPZLQJ-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H9BrClNO/c14-12-5-4-10(7-13(12)15)16-8-9-2-1-3-11(17)6-9/h1-8,17H/b16-8+.
What are the key properties of 3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol?
3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol has a molecular weight of 310.58 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol is sourced from PubChem (CID 628372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).