2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol

C20H16ClNO2 — CID 139088519

IUPAC2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol
SMILESOc1cc(OCc2ccccc2)ccc1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClNO2/c21-17-7-9-18(10-8-17)22-13-16-6-11-19(12-20(16)23)24-14-15-4-2-1-3-5-15/h1-13,23H,14H2/b22-13+
InChIKeyOYOGZXKAHUTIKV-LPYMAVHISA-N
MW337.81 g/mol
LogP5.38
Rot. Bonds5

About 2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol

2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol (PubChem CID 139088519) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol
PubChem CID139088519
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC Name2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol
SMILESOc1cc(OCc2ccccc2)ccc1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClNO2/c21-17-7-9-18(10-8-17)22-13-16-6-11-19(12-20(16)23)24-14-15-4-2-1-3-5-15/h1-13,23H,14H2/b22-13+
InChIKeyOYOGZXKAHUTIKV-LPYMAVHISA-N
XLogP5.38
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.38
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-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol
CID 3427479
4-methoxy-2-[(4-phenylmethoxyphenyl)iminomethyl]phenol
CID 135787695
5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136722310
2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol
CID 135843252
2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
CID 135699896
1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210140
N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 2197856
2-[[4-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]phenyl]iminomethyl]-5-octadecoxyphenol
CID 136722312
5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
CID 137158267
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742
1-[(E)-(2-hydroxy-4-phenylmethoxyphenyl)methylideneamino]-3-methylthiourea
CID 139086277
2-[(4-hexoxyphenyl)iminomethyl]-5-octoxyphenol
CID 136805582

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol?
The IUPAC name of 2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol (CID 139088519) is 2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol.
What is the SMILES notation for 2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol?
The canonical SMILES for 2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol is Oc1cc(OCc2ccccc2)ccc1/C=N/c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol?
The InChIKey is OYOGZXKAHUTIKV-LPYMAVHISA-N. The full InChI is InChI=1S/C20H16ClNO2/c21-17-7-9-18(10-8-17)22-13-16-6-11-19(12-20(16)23)24-14-15-4-2-1-3-5-15/h1-13,23H,14H2/b22-13+.
What are the key properties of 2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol?
2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol has a molecular weight of 337.81 g/mol, XLogP of 5.38, 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-phenylmethoxyphenol is sourced from PubChem (CID 139088519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).