4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol

C16H16BrNO2 — CID 136703873

IUPAC4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol
SMILESCc1ccccc1C(O)C/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C16H16BrNO2/c1-11-4-2-3-5-14(11)16(20)10-18-9-12-8-13(17)6-7-15(12)19/h2-9,16,19-20H,10H2,1H3/b18-9+
InChIKeyUTGVXJGXLCUASJ-GIJQJNRQSA-N
MW334.21 g/mol
LogP3.62
Rot. Bonds4

About 4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol

4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol (PubChem CID 136703873) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol
PubChem CID136703873
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol
SMILESCc1ccccc1C(O)C/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C16H16BrNO2/c1-11-4-2-3-5-14(11)16(20)10-18-9-12-8-13(17)6-7-15(12)19/h2-9,16,19-20H,10H2,1H3/b18-9+
InChIKeyUTGVXJGXLCUASJ-GIJQJNRQSA-N
XLogP3.62
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.62
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 4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol (CID 136703873) is 4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol is Cc1ccccc1C(O)C/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol?
The InChIKey is UTGVXJGXLCUASJ-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11-4-2-3-5-14(11)16(20)10-18-9-12-8-13(17)6-7-15(12)19/h2-9,16,19-20H,10H2,1H3/b18-9+.
What are the key properties of 4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol?
4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol has a molecular weight of 334.21 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol is sourced from PubChem (CID 136703873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).