4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol

C24H18BrNO — CID 3987318

IUPAC4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol
SMILESOc1c(Br)cc(Cc2ccccc2)cc1/C=N/c1cccc2ccccc12
InChIInChI=1S/C24H18BrNO/c25-22-15-18(13-17-7-2-1-3-8-17)14-20(24(22)27)16-26-23-12-6-10-19-9-4-5-11-21(19)23/h1-12,14-16,27H,13H2/b26-16+
InChIKeyUTHONIRNLIONSN-WGOQTCKBSA-N
MW416.32 g/mol
LogP6.65
Rot. Bonds4

About 4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol

4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol (PubChem CID 3987318) has the molecular formula C24H18BrNO and a molecular weight of 416.32 g/mol. Its IUPAC name is 4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol.

Molecular Properties

Compound Name4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol
PubChem CID3987318
Molecular FormulaC24H18BrNO
Molecular Weight416.32 g/mol
Exact Mass415.06
IUPAC Name4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol
SMILESOc1c(Br)cc(Cc2ccccc2)cc1/C=N/c1cccc2ccccc12
InChIInChI=1S/C24H18BrNO/c25-22-15-18(13-17-7-2-1-3-8-17)14-20(24(22)27)16-26-23-12-6-10-19-9-4-5-11-21(19)23/h1-12,14-16,27H,13H2/b26-16+
InChIKeyUTHONIRNLIONSN-WGOQTCKBSA-N
XLogP6.65
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.32
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-2-bromo-6-[(4-methylphenyl)iminomethyl]phenol
CID 3961983
4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol
CID 3371696
N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide
CID 4508385
1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 136596197
N-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine
CID 4644937
4-benzyl-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol
CID 3923756
N-(2,4-dibromophenyl)-1-naphthalen-1-ylmethanimine
CID 21210393
4-bromo-2-[[5-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-6-tert-butylphenol
CID 135405998
N-[(E)-[5-benzyl-3-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-2-hydroxyphenyl]methylideneamino]-3-bromobenzamide
CID 135437640
N-[(Z)-[5-benzyl-3-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-2-hydroxyphenyl]methylideneamino]-3-bromobenzamide
CID 135680192
2-[[8-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-bis(2-methylpropyl)phenol
CID 137163075
2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135720813

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol?
The IUPAC name of 4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol (CID 3987318) is 4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol.
What is the SMILES notation for 4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol?
The canonical SMILES for 4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol is Oc1c(Br)cc(Cc2ccccc2)cc1/C=N/c1cccc2ccccc12.
What is the InChIKey of 4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol?
The InChIKey is UTHONIRNLIONSN-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H18BrNO/c25-22-15-18(13-17-7-2-1-3-8-17)14-20(24(22)27)16-26-23-12-6-10-19-9-4-5-11-21(19)23/h1-12,14-16,27H,13H2/b26-16+.
What are the key properties of 4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol?
4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol has a molecular weight of 416.32 g/mol, XLogP of 6.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol is sourced from PubChem (CID 3987318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).