4-bromo-2-[[(2-hydroxyphenyl)methylideneamino]methyl]phenol

C14H12BrNO2 — CID 136695433

IUPAC4-bromo-2-[[(2-hydroxyphenyl)methylideneamino]methyl]phenol
SMILESOc1ccccc1/C=N/Cc1cc(Br)ccc1O
InChIInChI=1S/C14H12BrNO2/c15-12-5-6-14(18)11(7-12)9-16-8-10-3-1-2-4-13(10)17/h1-8,17-18H,9H2/b16-8+
InChIKeyDXTLHFOPYNNRQH-LZYBPNLTSA-N
MW306.16 g/mol
LogP3.48
Rot. Bonds3

About 4-bromo-2-[[(2-hydroxyphenyl)methylideneamino]methyl]phenol

4-bromo-2-[[(2-hydroxyphenyl)methylideneamino]methyl]phenol (PubChem CID 136695433) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 4-bromo-2-[[(2-hydroxyphenyl)methylideneamino]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[(2-hydroxyphenyl)methylideneamino]methyl]phenol
PubChem CID136695433
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name4-bromo-2-[[(2-hydroxyphenyl)methylideneamino]methyl]phenol
SMILESOc1ccccc1/C=N/Cc1cc(Br)ccc1O
InChIInChI=1S/C14H12BrNO2/c15-12-5-6-14(18)11(7-12)9-16-8-10-3-1-2-4-13(10)17/h1-8,17-18H,9H2/b16-8+
InChIKeyDXTLHFOPYNNRQH-LZYBPNLTSA-N
XLogP3.48
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[(2-hydroxyphenyl)methylideneamino]methyl]phenol?
The IUPAC name of 4-bromo-2-[[(2-hydroxyphenyl)methylideneamino]methyl]phenol (CID 136695433) is 4-bromo-2-[[(2-hydroxyphenyl)methylideneamino]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[[(2-hydroxyphenyl)methylideneamino]methyl]phenol?
The canonical SMILES for 4-bromo-2-[[(2-hydroxyphenyl)methylideneamino]methyl]phenol is Oc1ccccc1/C=N/Cc1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[[(2-hydroxyphenyl)methylideneamino]methyl]phenol?
The InChIKey is DXTLHFOPYNNRQH-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-12-5-6-14(18)11(7-12)9-16-8-10-3-1-2-4-13(10)17/h1-8,17-18H,9H2/b16-8+.
What are the key properties of 4-bromo-2-[[(2-hydroxyphenyl)methylideneamino]methyl]phenol?
4-bromo-2-[[(2-hydroxyphenyl)methylideneamino]methyl]phenol has a molecular weight of 306.16 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[(2-hydroxyphenyl)methylideneamino]methyl]phenol is sourced from PubChem (CID 136695433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).