4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol

C24H19NO — CID 144600373

IUPAC4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol
SMILESCC#Cc1ccc(N(c2ccc(O)cc2)c2ccc(C#CC)cc2)cc1
InChIInChI=1S/C24H19NO/c1-3-5-19-7-11-21(12-8-19)25(23-15-17-24(26)18-16-23)22-13-9-20(6-4-2)10-14-22/h7-18,26H,1-2H3
InChIKeyUXKCDJONZYYKBT-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.60
Rot. Bonds3

About 4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol

4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol (PubChem CID 144600373) has the molecular formula C24H19NO and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol.

Molecular Properties

Compound Name4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol
PubChem CID144600373
Molecular FormulaC24H19NO
Molecular Weight337.42 g/mol
Exact Mass337.15
IUPAC Name4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol
SMILESCC#Cc1ccc(N(c2ccc(O)cc2)c2ccc(C#CC)cc2)cc1
InChIInChI=1S/C24H19NO/c1-3-5-19-7-11-21(12-8-19)25(23-15-17-24(26)18-16-23)22-13-9-20(6-4-2)10-14-22/h7-18,26H,1-2H3
InChIKeyUXKCDJONZYYKBT-UHFFFAOYSA-N
XLogP5.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol 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 4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol?
The IUPAC name of 4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol (CID 144600373) is 4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol.
What is the SMILES notation for 4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol?
The canonical SMILES for 4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol is CC#Cc1ccc(N(c2ccc(O)cc2)c2ccc(C#CC)cc2)cc1.
What is the InChIKey of 4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol?
The InChIKey is UXKCDJONZYYKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO/c1-3-5-19-7-11-21(12-8-19)25(23-15-17-24(26)18-16-23)22-13-9-20(6-4-2)10-14-22/h7-18,26H,1-2H3.
What are the key properties of 4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol?
4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol has a molecular weight of 337.42 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)anilino)phenol is sourced from PubChem (CID 144600373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).