4-(2-chloro-6-hydroxyphenyl)iminopentan-2-one

C11H12ClNO2 — CID 139343039

IUPAC4-(2-chloro-6-hydroxyphenyl)iminopentan-2-one
SMILESCC(=O)C/C(C)=N/c1c(O)cccc1Cl
InChIInChI=1S/C11H12ClNO2/c1-7(6-8(2)14)13-11-9(12)4-3-5-10(11)15/h3-5,15H,6H2,1-2H3/b13-7+
InChIKeyLXJUUEIEGMSGOL-NTUHNPAUSA-N
MW225.68 g/mol
LogP3.12
Rot. Bonds3

About 4-(2-chloro-6-hydroxyphenyl)iminopentan-2-one

4-(2-chloro-6-hydroxyphenyl)iminopentan-2-one (PubChem CID 139343039) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 4-(2-chloro-6-hydroxyphenyl)iminopentan-2-one.

Molecular Properties

Compound Name4-(2-chloro-6-hydroxyphenyl)iminopentan-2-one
PubChem CID139343039
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name4-(2-chloro-6-hydroxyphenyl)iminopentan-2-one
SMILESCC(=O)C/C(C)=N/c1c(O)cccc1Cl
InChIInChI=1S/C11H12ClNO2/c1-7(6-8(2)14)13-11-9(12)4-3-5-10(11)15/h3-5,15H,6H2,1-2H3/b13-7+
InChIKeyLXJUUEIEGMSGOL-NTUHNPAUSA-N
XLogP3.12
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-hydroxyphenyl)iminopentan-2-one?
The IUPAC name of 4-(2-chloro-6-hydroxyphenyl)iminopentan-2-one (CID 139343039) is 4-(2-chloro-6-hydroxyphenyl)iminopentan-2-one.
What is the SMILES notation for 4-(2-chloro-6-hydroxyphenyl)iminopentan-2-one?
The canonical SMILES for 4-(2-chloro-6-hydroxyphenyl)iminopentan-2-one is CC(=O)C/C(C)=N/c1c(O)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-hydroxyphenyl)iminopentan-2-one?
The InChIKey is LXJUUEIEGMSGOL-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-7(6-8(2)14)13-11-9(12)4-3-5-10(11)15/h3-5,15H,6H2,1-2H3/b13-7+.
What are the key properties of 4-(2-chloro-6-hydroxyphenyl)iminopentan-2-one?
4-(2-chloro-6-hydroxyphenyl)iminopentan-2-one has a molecular weight of 225.68 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-hydroxyphenyl)iminopentan-2-one is sourced from PubChem (CID 139343039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).