4-bromo-2-[(2-chloro-4-fluorophenyl)methyliminomethyl]phenol

C14H10BrClFNO — CID 135629568

IUPAC4-bromo-2-[(2-chloro-4-fluorophenyl)methyliminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H10BrClFNO/c15-11-2-4-14(19)10(5-11)8-18-7-9-1-3-12(17)6-13(9)16/h1-6,8,19H,7H2/b18-8+
InChIKeyDKNUDENRBRISBS-QGMBQPNBSA-N
MW342.60 g/mol
LogP4.57
Rot. Bonds3

About 4-bromo-2-[(2-chloro-4-fluorophenyl)methyliminomethyl]phenol

4-bromo-2-[(2-chloro-4-fluorophenyl)methyliminomethyl]phenol (PubChem CID 135629568) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is 4-bromo-2-[(2-chloro-4-fluorophenyl)methyliminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2-chloro-4-fluorophenyl)methyliminomethyl]phenol
PubChem CID135629568
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name4-bromo-2-[(2-chloro-4-fluorophenyl)methyliminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H10BrClFNO/c15-11-2-4-14(19)10(5-11)8-18-7-9-1-3-12(17)6-13(9)16/h1-6,8,19H,7H2/b18-8+
InChIKeyDKNUDENRBRISBS-QGMBQPNBSA-N
XLogP4.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-bromo-2-[(2-chloro-4-fluorophenyl)methyliminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(2-chloro-4-fluorophenyl)methyliminomethyl]phenol (CID 135629568) is 4-bromo-2-[(2-chloro-4-fluorophenyl)methyliminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(2-chloro-4-fluorophenyl)methyliminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(2-chloro-4-fluorophenyl)methyliminomethyl]phenol is Oc1ccc(Br)cc1/C=N/Cc1ccc(F)cc1Cl.
What is the InChIKey of 4-bromo-2-[(2-chloro-4-fluorophenyl)methyliminomethyl]phenol?
The InChIKey is DKNUDENRBRISBS-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c15-11-2-4-14(19)10(5-11)8-18-7-9-1-3-12(17)6-13(9)16/h1-6,8,19H,7H2/b18-8+.
What are the key properties of 4-bromo-2-[(2-chloro-4-fluorophenyl)methyliminomethyl]phenol?
4-bromo-2-[(2-chloro-4-fluorophenyl)methyliminomethyl]phenol has a molecular weight of 342.60 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-chloro-4-fluorophenyl)methyliminomethyl]phenol is sourced from PubChem (CID 135629568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).