2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol

C17H18N2O2 — CID 5046197

IUPAC2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol
SMILESC/C(C/C(C)=N/c1ccccc1O)=N\c1ccccc1O
InChIInChI=1S/C17H18N2O2/c1-12(18-14-7-3-5-9-16(14)20)11-13(2)19-15-8-4-6-10-17(15)21/h3-10,20-21H,11H2,1-2H3/b18-12+,19-13+
InChIKeyVLWWRTKFDAUCMI-KLCVKJMQSA-N
MW282.34 g/mol
LogP4.37
Rot. Bonds4

About 2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol

2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol (PubChem CID 5046197) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol
PubChem CID5046197
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol
SMILESC/C(C/C(C)=N/c1ccccc1O)=N\c1ccccc1O
InChIInChI=1S/C17H18N2O2/c1-12(18-14-7-3-5-9-16(14)20)11-13(2)19-15-8-4-6-10-17(15)21/h3-10,20-21H,11H2,1-2H3/b18-12+,19-13+
InChIKeyVLWWRTKFDAUCMI-KLCVKJMQSA-N
XLogP4.37
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol with MolForge

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

Launch Full Analysis

Related Compounds

CID 74902
CID 74902
CID 96335
CID 96335
CID 3336761
CID 3336761
CID 16897
CID 16897
CID 135709837
CID 135709837
CID 8775
CID 8775
CID 136166143
CID 136166143
CID 91658960
CID 91658960
CID 294412
CID 294412
CID 4342148
CID 4342148
CID 172407482
CID 172407482
CID 346001
CID 346001

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol?
The IUPAC name of 2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol (CID 5046197) is 2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol is C/C(C/C(C)=N/c1ccccc1O)=N\c1ccccc1O.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol?
The InChIKey is VLWWRTKFDAUCMI-KLCVKJMQSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12(18-14-7-3-5-9-16(14)20)11-13(2)19-15-8-4-6-10-17(15)21/h3-10,20-21H,11H2,1-2H3/b18-12+,19-13+.
What are the key properties of 2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol?
2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol has a molecular weight of 282.34 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)iminopentan-2-ylideneamino]phenol is sourced from PubChem (CID 5046197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).