1-(4-hydroxyphenyl)-5-iminooctan-2-one

C14H19NO2 — CID 174544546

IUPAC1-(4-hydroxyphenyl)-5-iminooctan-2-one
SMILES[H]/N=C(\CCC)CCC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C14H19NO2/c1-2-3-12(15)6-9-14(17)10-11-4-7-13(16)8-5-11/h4-5,7-8,15-16H,2-3,6,9-10H2,1H3/b15-12+
InChIKeyXCMVOTHIEFVGOF-NTCAYCPXSA-N
MW233.31 g/mol
LogP3.10
Rot. Bonds7

About 1-(4-hydroxyphenyl)-5-iminooctan-2-one

1-(4-hydroxyphenyl)-5-iminooctan-2-one (PubChem CID 174544546) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-5-iminooctan-2-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-5-iminooctan-2-one
PubChem CID174544546
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(4-hydroxyphenyl)-5-iminooctan-2-one
SMILES[H]/N=C(\CCC)CCC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C14H19NO2/c1-2-3-12(15)6-9-14(17)10-11-4-7-13(16)8-5-11/h4-5,7-8,15-16H,2-3,6,9-10H2,1H3/b15-12+
InChIKeyXCMVOTHIEFVGOF-NTCAYCPXSA-N
XLogP3.10
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(4-hydroxyphenyl)-5-iminooctan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-5-iminooctan-2-one?
The IUPAC name of 1-(4-hydroxyphenyl)-5-iminooctan-2-one (CID 174544546) is 1-(4-hydroxyphenyl)-5-iminooctan-2-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-5-iminooctan-2-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-5-iminooctan-2-one is [H]/N=C(\CCC)CCC(=O)Cc1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-5-iminooctan-2-one?
The InChIKey is XCMVOTHIEFVGOF-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-3-12(15)6-9-14(17)10-11-4-7-13(16)8-5-11/h4-5,7-8,15-16H,2-3,6,9-10H2,1H3/b15-12+.
What are the key properties of 1-(4-hydroxyphenyl)-5-iminooctan-2-one?
1-(4-hydroxyphenyl)-5-iminooctan-2-one has a molecular weight of 233.31 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-5-iminooctan-2-one is sourced from PubChem (CID 174544546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).