(4-hydroxyiminocyclohexyl) benzoate

C13H15NO3 — CID 570653

IUPAC(4-hydroxyiminocyclohexyl) benzoate
SMILESO=C(OC1CCC(=NO)CC1)c1ccccc1
InChIInChI=1S/C13H15NO3/c15-13(10-4-2-1-3-5-10)17-12-8-6-11(14-16)7-9-12/h1-5,12,16H,6-9H2/b14-11-
InChIKeyKOWWXOPRRFVSPZ-KAMYIIQDSA-N
MW233.27 g/mol
LogP2.62
Rot. Bonds2

About (4-hydroxyiminocyclohexyl) benzoate

(4-hydroxyiminocyclohexyl) benzoate (PubChem CID 570653) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (4-hydroxyiminocyclohexyl) benzoate.

Molecular Properties

Compound Name(4-hydroxyiminocyclohexyl) benzoate
PubChem CID570653
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(4-hydroxyiminocyclohexyl) benzoate
SMILESO=C(OC1CCC(=NO)CC1)c1ccccc1
InChIInChI=1S/C13H15NO3/c15-13(10-4-2-1-3-5-10)17-12-8-6-11(14-16)7-9-12/h1-5,12,16H,6-9H2/b14-11-
InChIKeyKOWWXOPRRFVSPZ-KAMYIIQDSA-N
XLogP2.62
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
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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Related Compounds

Benzyl Benzoate
CID 2345
Phenethyl Benzoate
CID 7194
Cinnamyl benzoate
CID 5705112
Isopropyl Benzoate
CID 13654
3-Phenylprop-2-en-1-yl benzoate
CID 316771
alpha-Methylbenzyl benzoate
CID 236456
Sec-Butyl benzoate
CID 95570
Cyclopentyl benzoate
CID 222343
2,5-Norbornadien-7-YL benzoate
CID 138356
Benzoic acid, hex-2-yl ester
CID 13130374
Benzoic acid, hex-3-yl ester
CID 45108325
4-(Benzoyloxy)cyclohexanone
CID 242677

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyiminocyclohexyl) benzoate?
The IUPAC name of (4-hydroxyiminocyclohexyl) benzoate (CID 570653) is (4-hydroxyiminocyclohexyl) benzoate.
What is the SMILES notation for (4-hydroxyiminocyclohexyl) benzoate?
The canonical SMILES for (4-hydroxyiminocyclohexyl) benzoate is O=C(OC1CCC(=NO)CC1)c1ccccc1.
What is the InChIKey of (4-hydroxyiminocyclohexyl) benzoate?
The InChIKey is KOWWXOPRRFVSPZ-KAMYIIQDSA-N. The full InChI is InChI=1S/C13H15NO3/c15-13(10-4-2-1-3-5-10)17-12-8-6-11(14-16)7-9-12/h1-5,12,16H,6-9H2/b14-11-.
What are the key properties of (4-hydroxyiminocyclohexyl) benzoate?
(4-hydroxyiminocyclohexyl) benzoate has a molecular weight of 233.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyiminocyclohexyl) benzoate is sourced from PubChem (CID 570653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).