4-(4-iminobutyl)phenol

C10H13NO — CID 174647473

IUPAC4-(4-iminobutyl)phenol
SMILES[H]/N=C/CCCc1ccc(O)cc1
InChIInChI=1S/C10H13NO/c11-8-2-1-3-9-4-6-10(12)7-5-9/h4-8,11-12H,1-3H2/b11-8+
InChIKeyJZCFSDPUYAMLNS-DHZHZOJOSA-N
MW163.22 g/mol
LogP2.36
Rot. Bonds4

About 4-(4-iminobutyl)phenol

4-(4-iminobutyl)phenol (PubChem CID 174647473) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-(4-iminobutyl)phenol.

Molecular Properties

Compound Name4-(4-iminobutyl)phenol
PubChem CID174647473
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-(4-iminobutyl)phenol
SMILES[H]/N=C/CCCc1ccc(O)cc1
InChIInChI=1S/C10H13NO/c11-8-2-1-3-9-4-6-10(12)7-5-9/h4-8,11-12H,1-3H2/b11-8+
InChIKeyJZCFSDPUYAMLNS-DHZHZOJOSA-N
XLogP2.36
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-iminobutyl)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

4-(5-iminopentyl)-N,N-dimethylaniline
CID 87880589
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
2-[4-(5-iminopentyl)phenyl]propanenitrile
CID 174488381
2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine
CID 174488376
3-(3-iminopropyl)phenol
CID 142028665
4-tetradec-13-enylphenol
CID 157380665
4-(3-fluoropropyl)phenol
CID 68765958
4-(3-aminopropyl)phenol
CID 4574248
4-hept-5-enylphenol
CID 66787200
4-butylphenol;tungsten
CID 174758928
4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
CID 101010463
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150

Frequently Asked Questions

What is the IUPAC name of 4-(4-iminobutyl)phenol?
The IUPAC name of 4-(4-iminobutyl)phenol (CID 174647473) is 4-(4-iminobutyl)phenol.
What is the SMILES notation for 4-(4-iminobutyl)phenol?
The canonical SMILES for 4-(4-iminobutyl)phenol is [H]/N=C/CCCc1ccc(O)cc1.
What is the InChIKey of 4-(4-iminobutyl)phenol?
The InChIKey is JZCFSDPUYAMLNS-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13NO/c11-8-2-1-3-9-4-6-10(12)7-5-9/h4-8,11-12H,1-3H2/b11-8+.
What are the key properties of 4-(4-iminobutyl)phenol?
4-(4-iminobutyl)phenol has a molecular weight of 163.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iminobutyl)phenol is sourced from PubChem (CID 174647473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).