1-phenyl-1-pyridin-3-ylbut-3-en-1-ol

C15H15NO — CID 13193271

IUPAC1-phenyl-1-pyridin-3-ylbut-3-en-1-ol
SMILESC=CCC(O)(c1ccccc1)c1cccnc1
InChIInChI=1S/C15H15NO/c1-2-10-15(17,13-7-4-3-5-8-13)14-9-6-11-16-12-14/h2-9,11-12,17H,1,10H2
InChIKeyIDOAEOBNMNIZFF-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.89
Rot. Bonds4

About 1-phenyl-1-pyridin-3-ylbut-3-en-1-ol

1-phenyl-1-pyridin-3-ylbut-3-en-1-ol (PubChem CID 13193271) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-phenyl-1-pyridin-3-ylbut-3-en-1-ol.

Molecular Properties

Compound Name1-phenyl-1-pyridin-3-ylbut-3-en-1-ol
PubChem CID13193271
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-phenyl-1-pyridin-3-ylbut-3-en-1-ol
SMILESC=CCC(O)(c1ccccc1)c1cccnc1
InChIInChI=1S/C15H15NO/c1-2-10-15(17,13-7-4-3-5-8-13)14-9-6-11-16-12-14/h2-9,11-12,17H,1,10H2
InChIKeyIDOAEOBNMNIZFF-UHFFFAOYSA-N
XLogP2.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-phenyl-1-pyridin-3-ylbut-3-en-1-ol 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

3-[1,1-bis(benzenesulfonyl)but-3-enyl]pyridine
CID 86034607
1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 15527575
2-pyridin-3-ylhex-5-en-2-ol
CID 15642446
1,1,2-tripyridin-3-ylethanol
CID 57425683
1-phenylbut-3-ene-1,1-diol
CID 134892936
tripyridin-3-ylmethanol
CID 177395677
(Z)-1,3-diphenyl-1-pyridin-3-ylprop-2-en-1-ol
CID 6446244
2-methyl-2-pyridin-3-ylpropane-1,3-diol
CID 130130273
2-pyridin-3-ylpent-4-ene-2,3-diol
CID 130127864
4-(hydroxy-phenyl-pyridin-3-ylmethyl)phenol
CID 91752041
4-oxo-2-phenyl-2-pyridin-3-ylbutanamide
CID 174457526
1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol
CID 146994174

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-pyridin-3-ylbut-3-en-1-ol?
The IUPAC name of 1-phenyl-1-pyridin-3-ylbut-3-en-1-ol (CID 13193271) is 1-phenyl-1-pyridin-3-ylbut-3-en-1-ol.
What is the SMILES notation for 1-phenyl-1-pyridin-3-ylbut-3-en-1-ol?
The canonical SMILES for 1-phenyl-1-pyridin-3-ylbut-3-en-1-ol is C=CCC(O)(c1ccccc1)c1cccnc1.
What is the InChIKey of 1-phenyl-1-pyridin-3-ylbut-3-en-1-ol?
The InChIKey is IDOAEOBNMNIZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-10-15(17,13-7-4-3-5-8-13)14-9-6-11-16-12-14/h2-9,11-12,17H,1,10H2.
What are the key properties of 1-phenyl-1-pyridin-3-ylbut-3-en-1-ol?
1-phenyl-1-pyridin-3-ylbut-3-en-1-ol has a molecular weight of 225.29 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-pyridin-3-ylbut-3-en-1-ol is sourced from PubChem (CID 13193271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).