4-(4-hydroxyiminocyclohexyl)-3-methoxyphenol

C13H17NO3 — CID 86586322

IUPAC4-(4-hydroxyiminocyclohexyl)-3-methoxyphenol
SMILESCOc1cc(O)ccc1C1CCC(=NO)CC1
InChIInChI=1S/C13H17NO3/c1-17-13-8-11(15)6-7-12(13)9-2-4-10(14-16)5-3-9/h6-9,15-16H,2-5H2,1H3/b14-10-
InChIKeyLKBNPKFFOOBCEZ-UVTDQMKNSA-N
MW235.28 g/mol
LogP2.89
Rot. Bonds2

About 4-(4-hydroxyiminocyclohexyl)-3-methoxyphenol

4-(4-hydroxyiminocyclohexyl)-3-methoxyphenol (PubChem CID 86586322) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(4-hydroxyiminocyclohexyl)-3-methoxyphenol.

Molecular Properties

Compound Name4-(4-hydroxyiminocyclohexyl)-3-methoxyphenol
PubChem CID86586322
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(4-hydroxyiminocyclohexyl)-3-methoxyphenol
SMILESCOc1cc(O)ccc1C1CCC(=NO)CC1
InChIInChI=1S/C13H17NO3/c1-17-13-8-11(15)6-7-12(13)9-2-4-10(14-16)5-3-9/h6-9,15-16H,2-5H2,1H3/b14-10-
InChIKeyLKBNPKFFOOBCEZ-UVTDQMKNSA-N
XLogP2.89
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyiminocyclohexyl)-3-methoxyphenol?
The IUPAC name of 4-(4-hydroxyiminocyclohexyl)-3-methoxyphenol (CID 86586322) is 4-(4-hydroxyiminocyclohexyl)-3-methoxyphenol.
What is the SMILES notation for 4-(4-hydroxyiminocyclohexyl)-3-methoxyphenol?
The canonical SMILES for 4-(4-hydroxyiminocyclohexyl)-3-methoxyphenol is COc1cc(O)ccc1C1CCC(=NO)CC1.
What is the InChIKey of 4-(4-hydroxyiminocyclohexyl)-3-methoxyphenol?
The InChIKey is LKBNPKFFOOBCEZ-UVTDQMKNSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-13-8-11(15)6-7-12(13)9-2-4-10(14-16)5-3-9/h6-9,15-16H,2-5H2,1H3/b14-10-.
What are the key properties of 4-(4-hydroxyiminocyclohexyl)-3-methoxyphenol?
4-(4-hydroxyiminocyclohexyl)-3-methoxyphenol has a molecular weight of 235.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyiminocyclohexyl)-3-methoxyphenol is sourced from PubChem (CID 86586322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).