2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol

C16H14ClNO2 — CID 3427479

IUPAC2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol
SMILESC=CCOc1ccc(/C=N/c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C16H14ClNO2/c1-2-9-20-15-8-3-12(16(19)10-15)11-18-14-6-4-13(17)5-7-14/h2-8,10-11,19H,1,9H2/b18-11+
InChIKeyMLQATICQPCCUKH-WOJGMQOQSA-N
MW287.75 g/mol
LogP4.36
Rot. Bonds5

About 2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol

2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol (PubChem CID 3427479) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol
PubChem CID3427479
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol
SMILESC=CCOc1ccc(/C=N/c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C16H14ClNO2/c1-2-9-20-15-8-3-12(16(19)10-15)11-18-14-6-4-13(17)5-7-14/h2-8,10-11,19H,1,9H2/b18-11+
InChIKeyMLQATICQPCCUKH-WOJGMQOQSA-N
XLogP4.36
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol 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

5-(allyloxy)-2-{(E)-[(4-methoxyphenyl)imino]methyl}phenol
CID 3481556
4-{(E)-[(2,4-dichlorophenyl)imino]methyl}benzene-1,3-diol
CID 780546
4-{(E)-[(3,5-dichlorophenyl)imino]methyl}benzene-1,3-diol
CID 794875
Dibenzo[B,F][1,4]Oxazepin-3-O
CID 136002659
Phenol, 2-[[(4-butylphenyl)imino]methyl]-5-methoxy-
CID 121730
4-Chloro-N-(2-methoxybenzylidene)aniline
CID 964630
5-(Allyloxy)-2-{[(3-chloro-4-methylphenyl)imino]methyl}phenol
CID 4267363
5-(allyloxy)-2-{(E)-[(3-chlorophenyl)imino]methyl}phenol
CID 4272542
4-[(4-Phenylmethoxyphenyl)iminomethyl]benzene-1,3-diol
CID 145978156
4-[(4-Methoxyphenyl)iminomethyl]benzene-1,3-diol
CID 791266
4-{[(E)-(2,4-dimethoxyphenyl)methylidene]amino}phenol
CID 691024
Propanimidamide, N-(4-chlorophenyl)-2-(((2,4-dimethoxyphenyl)methylene)hydrazono)-N'-hydroxy-
CID 135599765

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol?
The IUPAC name of 2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol (CID 3427479) is 2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol.
What is the SMILES notation for 2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol?
The canonical SMILES for 2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol is C=CCOc1ccc(/C=N/c2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol?
The InChIKey is MLQATICQPCCUKH-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-2-9-20-15-8-3-12(16(19)10-15)11-18-14-6-4-13(17)5-7-14/h2-8,10-11,19H,1,9H2/b18-11+.
What are the key properties of 2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol?
2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol has a molecular weight of 287.75 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol is sourced from PubChem (CID 3427479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).