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

C17H18BrNO2 — CID 135629562

IUPAC4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol
SMILESCCCOc1ccc(C/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C17H18BrNO2/c1-2-9-21-16-6-3-13(4-7-16)11-19-12-14-10-15(18)5-8-17(14)20/h3-8,10,12,20H,2,9,11H2,1H3/b19-12+
InChIKeyFWUQUMPMDQBRHZ-XDHOZWIPSA-N
MW348.24 g/mol
LogP4.56
Rot. Bonds6

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

4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol (PubChem CID 135629562) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol
PubChem CID135629562
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol
SMILESCCCOc1ccc(C/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C17H18BrNO2/c1-2-9-21-16-6-3-13(4-7-16)11-19-12-14-10-15(18)5-8-17(14)20/h3-8,10,12,20H,2,9,11H2,1H3/b19-12+
InChIKeyFWUQUMPMDQBRHZ-XDHOZWIPSA-N
XLogP4.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-hydroxy-5-icosoxyphenyl)methylideneamino]ethyliminomethyl]-4-icosoxyphenol
CID 136723269
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide
CID 621481
2-(1,3-benzodioxol-5-ylmethyliminomethyl)-4-bromophenol
CID 135936264
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide
CID 135604365
N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169716
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3297181
N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide
CID 135818045
4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol
CID 135657334
2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol
CID 139195391
4-bromo-2-(furan-2-ylmethyliminomethyl)phenol
CID 871214
[4-bromo-2-(4-propoxyphenoxy)phenyl]methanol
CID 43174104

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol (CID 135629562) is 4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol is CCCOc1ccc(C/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of 4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol?
The InChIKey is FWUQUMPMDQBRHZ-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-2-9-21-16-6-3-13(4-7-16)11-19-12-14-10-15(18)5-8-17(14)20/h3-8,10,12,20H,2,9,11H2,1H3/b19-12+.
What are the key properties of 4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol?
4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol has a molecular weight of 348.24 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol is sourced from PubChem (CID 135629562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).