4-bromo-2-[(2-methylphenyl)methyliminomethyl]phenol

C15H14BrNO — CID 135629579

IUPAC4-bromo-2-[(2-methylphenyl)methyliminomethyl]phenol
SMILESCc1ccccc1C/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C15H14BrNO/c1-11-4-2-3-5-12(11)9-17-10-13-8-14(16)6-7-15(13)18/h2-8,10,18H,9H2,1H3/b17-10+
InChIKeyFQLIHINTHGTKRT-LICLKQGHSA-N
MW304.19 g/mol
LogP4.08
Rot. Bonds3

About 4-bromo-2-[(2-methylphenyl)methyliminomethyl]phenol

4-bromo-2-[(2-methylphenyl)methyliminomethyl]phenol (PubChem CID 135629579) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-bromo-2-[(2-methylphenyl)methyliminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2-methylphenyl)methyliminomethyl]phenol
PubChem CID135629579
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name4-bromo-2-[(2-methylphenyl)methyliminomethyl]phenol
SMILESCc1ccccc1C/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C15H14BrNO/c1-11-4-2-3-5-12(11)9-17-10-13-8-14(16)6-7-15(13)18/h2-8,10,18H,9H2,1H3/b17-10+
InChIKeyFQLIHINTHGTKRT-LICLKQGHSA-N
XLogP4.08
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.08
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-methylphenyl)methyliminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(2-methylphenyl)methyliminomethyl]phenol (CID 135629579) is 4-bromo-2-[(2-methylphenyl)methyliminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(2-methylphenyl)methyliminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(2-methylphenyl)methyliminomethyl]phenol is Cc1ccccc1C/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[(2-methylphenyl)methyliminomethyl]phenol?
The InChIKey is FQLIHINTHGTKRT-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-11-4-2-3-5-12(11)9-17-10-13-8-14(16)6-7-15(13)18/h2-8,10,18H,9H2,1H3/b17-10+.
What are the key properties of 4-bromo-2-[(2-methylphenyl)methyliminomethyl]phenol?
4-bromo-2-[(2-methylphenyl)methyliminomethyl]phenol has a molecular weight of 304.19 g/mol, XLogP of 4.08, 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-methylphenyl)methyliminomethyl]phenol is sourced from PubChem (CID 135629579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).