2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol

C15H13BrClNO — CID 144993634

IUPAC2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol
SMILES[H]/N=C(\Cc1cc(Cl)ccc1Br)c1ccc(C)cc1O
InChIInChI=1S/C15H13BrClNO/c1-9-2-4-12(15(19)6-9)14(18)8-10-7-11(17)3-5-13(10)16/h2-7,18-19H,8H2,1H3/b18-14+
InChIKeyROZCYGZSVNTJLO-NBVRZTHBSA-N
MW338.63 g/mol
LogP4.73
Rot. Bonds3

About 2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol

2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol (PubChem CID 144993634) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is 2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol.

Molecular Properties

Compound Name2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol
PubChem CID144993634
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol
SMILES[H]/N=C(\Cc1cc(Cl)ccc1Br)c1ccc(C)cc1O
InChIInChI=1S/C15H13BrClNO/c1-9-2-4-12(15(19)6-9)14(18)8-10-7-11(17)3-5-13(10)16/h2-7,18-19H,8H2,1H3/b18-14+
InChIKeyROZCYGZSVNTJLO-NBVRZTHBSA-N
XLogP4.73
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.73
H-Bond Donors ≤ 52
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 2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol?
The IUPAC name of 2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol (CID 144993634) is 2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol.
What is the SMILES notation for 2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol?
The canonical SMILES for 2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol is [H]/N=C(\Cc1cc(Cl)ccc1Br)c1ccc(C)cc1O.
What is the InChIKey of 2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol?
The InChIKey is ROZCYGZSVNTJLO-NBVRZTHBSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-9-2-4-12(15(19)6-9)14(18)8-10-7-11(17)3-5-13(10)16/h2-7,18-19H,8H2,1H3/b18-14+.
What are the key properties of 2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol?
2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol has a molecular weight of 338.63 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-methylphenol is sourced from PubChem (CID 144993634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).