2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol

C10H12ClNO2 — CID 155738906

IUPAC2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol
SMILESCC(O)(CC=NO)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c1-10(13,6-7-12-14)8-2-4-9(11)5-3-8/h2-5,7,13-14H,6H2,1H3
InChIKeyJHIQUMJDZWURHA-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.40
Rot. Bonds3

About 2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol

2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol (PubChem CID 155738906) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol
PubChem CID155738906
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol
SMILESCC(O)(CC=NO)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c1-10(13,6-7-12-14)8-2-4-9(11)5-3-8/h2-5,7,13-14H,6H2,1H3
InChIKeyJHIQUMJDZWURHA-UHFFFAOYSA-N
XLogP2.40
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol (CID 155738906) is 2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol is CC(O)(CC=NO)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol?
The InChIKey is JHIQUMJDZWURHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-10(13,6-7-12-14)8-2-4-9(11)5-3-8/h2-5,7,13-14H,6H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol?
2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol has a molecular weight of 213.66 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol is sourced from PubChem (CID 155738906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).