4-chloro-2-(2-phenylethyliminomethyl)phenol

C15H14ClNO — CID 2304556

IUPAC4-chloro-2-(2-phenylethyliminomethyl)phenol
SMILESOc1ccc(Cl)cc1/C=N/CCc1ccccc1
InChIInChI=1S/C15H14ClNO/c16-14-6-7-15(18)13(10-14)11-17-9-8-12-4-2-1-3-5-12/h1-7,10-11,18H,8-9H2/b17-11+
InChIKeyBVBFOUQMCJEBKN-GZTJUZNOSA-N
MW259.74 g/mol
LogP3.71
Rot. Bonds4

About 4-chloro-2-(2-phenylethyliminomethyl)phenol

4-chloro-2-(2-phenylethyliminomethyl)phenol (PubChem CID 2304556) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-chloro-2-(2-phenylethyliminomethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(2-phenylethyliminomethyl)phenol
PubChem CID2304556
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name4-chloro-2-(2-phenylethyliminomethyl)phenol
SMILESOc1ccc(Cl)cc1/C=N/CCc1ccccc1
InChIInChI=1S/C15H14ClNO/c16-14-6-7-15(18)13(10-14)11-17-9-8-12-4-2-1-3-5-12/h1-7,10-11,18H,8-9H2/b17-11+
InChIKeyBVBFOUQMCJEBKN-GZTJUZNOSA-N
XLogP3.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.71
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-chloro-2-(2-phenylethyliminomethyl)phenol?
The IUPAC name of 4-chloro-2-(2-phenylethyliminomethyl)phenol (CID 2304556) is 4-chloro-2-(2-phenylethyliminomethyl)phenol.
What is the SMILES notation for 4-chloro-2-(2-phenylethyliminomethyl)phenol?
The canonical SMILES for 4-chloro-2-(2-phenylethyliminomethyl)phenol is Oc1ccc(Cl)cc1/C=N/CCc1ccccc1.
What is the InChIKey of 4-chloro-2-(2-phenylethyliminomethyl)phenol?
The InChIKey is BVBFOUQMCJEBKN-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-14-6-7-15(18)13(10-14)11-17-9-8-12-4-2-1-3-5-12/h1-7,10-11,18H,8-9H2/b17-11+.
What are the key properties of 4-chloro-2-(2-phenylethyliminomethyl)phenol?
4-chloro-2-(2-phenylethyliminomethyl)phenol has a molecular weight of 259.74 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-phenylethyliminomethyl)phenol is sourced from PubChem (CID 2304556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).