4-chloro-2-(cyclohexyliminomethyl)phenol

C13H16ClNO — CID 932267

IUPAC4-chloro-2-(cyclohexyliminomethyl)phenol
SMILESOc1ccc(Cl)cc1/C=N/C1CCCCC1
InChIInChI=1S/C13H16ClNO/c14-11-6-7-13(16)10(8-11)9-15-12-4-2-1-3-5-12/h6-9,12,16H,1-5H2/b15-9+
InChIKeyGJFRLXUGHWKJMG-OQLLNIDSSA-N
MW237.73 g/mol
LogP3.80
Rot. Bonds2

About 4-chloro-2-(cyclohexyliminomethyl)phenol

4-chloro-2-(cyclohexyliminomethyl)phenol (PubChem CID 932267) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-chloro-2-(cyclohexyliminomethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(cyclohexyliminomethyl)phenol
PubChem CID932267
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name4-chloro-2-(cyclohexyliminomethyl)phenol
SMILESOc1ccc(Cl)cc1/C=N/C1CCCCC1
InChIInChI=1S/C13H16ClNO/c14-11-6-7-13(16)10(8-11)9-15-12-4-2-1-3-5-12/h6-9,12,16H,1-5H2/b15-9+
InChIKeyGJFRLXUGHWKJMG-OQLLNIDSSA-N
XLogP3.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.80
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-(cyclohexyliminomethyl)phenol?
The IUPAC name of 4-chloro-2-(cyclohexyliminomethyl)phenol (CID 932267) is 4-chloro-2-(cyclohexyliminomethyl)phenol.
What is the SMILES notation for 4-chloro-2-(cyclohexyliminomethyl)phenol?
The canonical SMILES for 4-chloro-2-(cyclohexyliminomethyl)phenol is Oc1ccc(Cl)cc1/C=N/C1CCCCC1.
What is the InChIKey of 4-chloro-2-(cyclohexyliminomethyl)phenol?
The InChIKey is GJFRLXUGHWKJMG-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-11-6-7-13(16)10(8-11)9-15-12-4-2-1-3-5-12/h6-9,12,16H,1-5H2/b15-9+.
What are the key properties of 4-chloro-2-(cyclohexyliminomethyl)phenol?
4-chloro-2-(cyclohexyliminomethyl)phenol has a molecular weight of 237.73 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclohexyliminomethyl)phenol is sourced from PubChem (CID 932267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).