4-(cyclohexyliminomethyl)benzene-1,3-diol

C13H17NO2 — CID 796887

IUPAC4-(cyclohexyliminomethyl)benzene-1,3-diol
SMILESOc1ccc(/C=N/C2CCCCC2)c(O)c1
InChIInChI=1S/C13H17NO2/c15-12-7-6-10(13(16)8-12)9-14-11-4-2-1-3-5-11/h6-9,11,15-16H,1-5H2/b14-9+
InChIKeyUGMBMYJAUTUEJB-NTEUORMPSA-N
MW219.28 g/mol
LogP2.85
Rot. Bonds2

About 4-(cyclohexyliminomethyl)benzene-1,3-diol

4-(cyclohexyliminomethyl)benzene-1,3-diol (PubChem CID 796887) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-(cyclohexyliminomethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(cyclohexyliminomethyl)benzene-1,3-diol
PubChem CID796887
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-(cyclohexyliminomethyl)benzene-1,3-diol
SMILESOc1ccc(/C=N/C2CCCCC2)c(O)c1
InChIInChI=1S/C13H17NO2/c15-12-7-6-10(13(16)8-12)9-14-11-4-2-1-3-5-11/h6-9,11,15-16H,1-5H2/b14-9+
InChIKeyUGMBMYJAUTUEJB-NTEUORMPSA-N
XLogP2.85
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(cyclohexyliminomethyl)benzene-1,3-diol?
The IUPAC name of 4-(cyclohexyliminomethyl)benzene-1,3-diol (CID 796887) is 4-(cyclohexyliminomethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(cyclohexyliminomethyl)benzene-1,3-diol?
The canonical SMILES for 4-(cyclohexyliminomethyl)benzene-1,3-diol is Oc1ccc(/C=N/C2CCCCC2)c(O)c1.
What is the InChIKey of 4-(cyclohexyliminomethyl)benzene-1,3-diol?
The InChIKey is UGMBMYJAUTUEJB-NTEUORMPSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12-7-6-10(13(16)8-12)9-14-11-4-2-1-3-5-11/h6-9,11,15-16H,1-5H2/b14-9+.
What are the key properties of 4-(cyclohexyliminomethyl)benzene-1,3-diol?
4-(cyclohexyliminomethyl)benzene-1,3-diol has a molecular weight of 219.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexyliminomethyl)benzene-1,3-diol is sourced from PubChem (CID 796887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).