4-chloro-2-(2-phenylethanimidoyl)phenol

C14H12ClNO — CID 136649545

IUPAC4-chloro-2-(2-phenylethanimidoyl)phenol
SMILES[H]/N=C(\Cc1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H12ClNO/c15-11-6-7-14(17)12(9-11)13(16)8-10-4-2-1-3-5-10/h1-7,9,16-17H,8H2/b16-13+
InChIKeyVLSIADMXTMPWSJ-DTQAZKPQSA-N
MW245.71 g/mol
LogP3.66
Rot. Bonds3

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

4-chloro-2-(2-phenylethanimidoyl)phenol (PubChem CID 136649545) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-chloro-2-(2-phenylethanimidoyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(2-phenylethanimidoyl)phenol
PubChem CID136649545
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name4-chloro-2-(2-phenylethanimidoyl)phenol
SMILES[H]/N=C(\Cc1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H12ClNO/c15-11-6-7-14(17)12(9-11)13(16)8-10-4-2-1-3-5-10/h1-7,9,16-17H,8H2/b16-13+
InChIKeyVLSIADMXTMPWSJ-DTQAZKPQSA-N
XLogP3.66
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.66
H-Bond Donors ≤ 52
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-phenylethanimidoyl)phenol?
The IUPAC name of 4-chloro-2-(2-phenylethanimidoyl)phenol (CID 136649545) is 4-chloro-2-(2-phenylethanimidoyl)phenol.
What is the SMILES notation for 4-chloro-2-(2-phenylethanimidoyl)phenol?
The canonical SMILES for 4-chloro-2-(2-phenylethanimidoyl)phenol is [H]/N=C(\Cc1ccccc1)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-(2-phenylethanimidoyl)phenol?
The InChIKey is VLSIADMXTMPWSJ-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-11-6-7-14(17)12(9-11)13(16)8-10-4-2-1-3-5-10/h1-7,9,16-17H,8H2/b16-13+.
What are the key properties of 4-chloro-2-(2-phenylethanimidoyl)phenol?
4-chloro-2-(2-phenylethanimidoyl)phenol has a molecular weight of 245.71 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-phenylethanimidoyl)phenol is sourced from PubChem (CID 136649545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).