(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one

C15H13NO2 — CID 6262995

IUPAC(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
SMILESCOc1ccccc1/C=C/C(=O)c1ccncc1
InChIInChI=1S/C15H13NO2/c1-18-15-5-3-2-4-13(15)6-7-14(17)12-8-10-16-11-9-12/h2-11H,1H3/b7-6+
InChIKeyPVHPZPKHRNPXOT-VOTSOKGWSA-N
MW239.27 g/mol
LogP2.99
Rot. Bonds4

About (E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one

(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one (PubChem CID 6262995) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
PubChem CID6262995
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
SMILESCOc1ccccc1/C=C/C(=O)c1ccncc1
InChIInChI=1S/C15H13NO2/c1-18-15-5-3-2-4-13(15)6-7-14(17)12-8-10-16-11-9-12/h2-11H,1H3/b7-6+
InChIKeyPVHPZPKHRNPXOT-VOTSOKGWSA-N
XLogP2.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
N-[4-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 4143798
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2,6-dimethoxybenzoate
CID 3498257
[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate
CID 102475466
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2-methoxybenzoate
CID 5088439
N-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 134155858
(E)-3-(3,4-dimethoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 82639722
pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate
CID 4990417
(E)-1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 47241616
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 3,4,5-trimethoxybenzoate
CID 5089760
1-phenyl-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 70288078

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one (CID 6262995) is (E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one is COc1ccccc1/C=C/C(=O)c1ccncc1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one?
The InChIKey is PVHPZPKHRNPXOT-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-15-5-3-2-4-13(15)6-7-14(17)12-8-10-16-11-9-12/h2-11H,1H3/b7-6+.
What are the key properties of (E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one?
(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one has a molecular weight of 239.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 6262995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).