4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol

C21H18ClNO — CID 4141686

IUPAC4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol
SMILESCc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1Cl
InChIInChI=1S/C21H18ClNO/c1-15-7-9-19(13-20(15)22)23-14-18-12-17(8-10-21(18)24)11-16-5-3-2-4-6-16/h2-10,12-14,24H,11H2,1H3/b23-14+
InChIKeyUOKCGLNIRQOSOJ-OEAKJJBVSA-N
MW335.83 g/mol
LogP5.70
Rot. Bonds4

About 4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol

4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol (PubChem CID 4141686) has the molecular formula C21H18ClNO and a molecular weight of 335.83 g/mol. Its IUPAC name is 4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol
PubChem CID4141686
Molecular FormulaC21H18ClNO
Molecular Weight335.83 g/mol
Exact Mass335.11
IUPAC Name4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol
SMILESCc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1Cl
InChIInChI=1S/C21H18ClNO/c1-15-7-9-19(13-20(15)22)23-14-18-12-17(8-10-21(18)24)11-16-5-3-2-4-6-16/h2-10,12-14,24H,11H2,1H3/b23-14+
InChIKeyUOKCGLNIRQOSOJ-OEAKJJBVSA-N
XLogP5.70
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.83
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol?
The IUPAC name of 4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol (CID 4141686) is 4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol is Cc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1Cl.
What is the InChIKey of 4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol?
The InChIKey is UOKCGLNIRQOSOJ-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H18ClNO/c1-15-7-9-19(13-20(15)22)23-14-18-12-17(8-10-21(18)24)11-16-5-3-2-4-6-16/h2-10,12-14,24H,11H2,1H3/b23-14+.
What are the key properties of 4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol?
4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol has a molecular weight of 335.83 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 4141686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).