(E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol

C15H15NO2 — CID 18624576

IUPAC(E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol
SMILESOCC/C=C/c1cncc(Oc2ccccc2)c1
InChIInChI=1S/C15H15NO2/c17-9-5-4-6-13-10-15(12-16-11-13)18-14-7-2-1-3-8-14/h1-4,6-8,10-12,17H,5,9H2/b6-4+
InChIKeyBKMWUDOZUFXDTP-GQCTYLIASA-N
MW241.29 g/mol
LogP3.27
Rot. Bonds5

About (E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol

(E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol (PubChem CID 18624576) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol
PubChem CID18624576
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol
SMILESOCC/C=C/c1cncc(Oc2ccccc2)c1
InChIInChI=1S/C15H15NO2/c17-9-5-4-6-13-10-15(12-16-11-13)18-14-7-2-1-3-8-14/h1-4,6-8,10-12,17H,5,9H2/b6-4+
InChIKeyBKMWUDOZUFXDTP-GQCTYLIASA-N
XLogP3.27
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine
CID 10016526
3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine
CID 139948521
1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone
CID 170476646
4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol
CID 18384976
4-naphthalen-2-ylbut-3-en-1-ol
CID 54291326
(2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine
CID 66746697
(E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine
CID 22262903
but-1-enylbenzene;phenoxybenzene
CID 175609674
ethane-1,2-diol;methanol;phenoxybenzene
CID 174609290
2-(N-[(E)-4-(5-methoxy-3-pyridinyl)but-3-enyl]-3-propan-2-ylanilino)ethanol
CID 167772319
1-[(E)-but-1-enyl]-4-phenoxybenzene
CID 58787161
3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid
CID 170476900

Frequently Asked Questions

What is the IUPAC name of (E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol?
The IUPAC name of (E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol (CID 18624576) is (E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol.
What is the SMILES notation for (E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol?
The canonical SMILES for (E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol is OCC/C=C/c1cncc(Oc2ccccc2)c1.
What is the InChIKey of (E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol?
The InChIKey is BKMWUDOZUFXDTP-GQCTYLIASA-N. The full InChI is InChI=1S/C15H15NO2/c17-9-5-4-6-13-10-15(12-16-11-13)18-14-7-2-1-3-8-14/h1-4,6-8,10-12,17H,5,9H2/b6-4+.
What are the key properties of (E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol?
(E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol has a molecular weight of 241.29 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol is sourced from PubChem (CID 18624576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).