3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one

C16H15NO3 — CID 67799567

IUPAC3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(OCCO)cc1)c1ccccn1
InChIInChI=1S/C16H15NO3/c18-11-12-20-14-7-4-13(5-8-14)6-9-16(19)15-3-1-2-10-17-15/h1-10,18H,11-12H2
InChIKeyZELJBZIQQYCUSP-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.35
Rot. Bonds6

About 3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one

3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one (PubChem CID 67799567) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one
PubChem CID67799567
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(OCCO)cc1)c1ccccn1
InChIInChI=1S/C16H15NO3/c18-11-12-20-14-7-4-13(5-8-14)6-9-16(19)15-3-1-2-10-17-15/h1-10,18H,11-12H2
InChIKeyZELJBZIQQYCUSP-UHFFFAOYSA-N
XLogP2.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one
CID 50742117
(E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 71307712
1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid
CID 175052952
(Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one
CID 92531173
(E)-3-(3,4-dihydroxyphenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 137079315
(E)-3-[4-[2-(4-ethenylphenoxy)ethoxy]phenyl]-1-phenylprop-2-en-1-one
CID 22026760
3-[4-(dimethylamino)phenyl]-1-[4-(2-hydroxyethoxy)phenyl]prop-2-en-1-one
CID 54566704
(E)-3-(3-ethoxy-4-hydroxyphenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 82185212
1,1'-biphenyl;3-[4-(6-hydroxyhexoxy)phenyl]prop-2-enoic acid
CID 175055126
3-(3-aminophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 3049495
(Z)-3-(1,3-benzodioxol-5-yl)-1-pyridin-2-ylprop-2-en-1-one
CID 51663355
phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate
CID 89388699

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of 3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one (CID 67799567) is 3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for 3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one is O=C(C=Cc1ccc(OCCO)cc1)c1ccccn1.
What is the InChIKey of 3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one?
The InChIKey is ZELJBZIQQYCUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-11-12-20-14-7-4-13(5-8-14)6-9-16(19)15-3-1-2-10-17-15/h1-10,18H,11-12H2.
What are the key properties of 3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one?
3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one has a molecular weight of 269.30 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 67799567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).