3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate

C22H19NO3 — CID 67659568

IUPAC3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate
SMILESO=C(OCC=Cc1ncccc1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO3/c24-22(19-11-5-2-6-12-19)25-16-8-13-20-21(14-7-15-23-20)26-17-18-9-3-1-4-10-18/h1-15H,16-17H2
InChIKeyWJPBQLBAPWGQDU-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.53
Rot. Bonds7

About 3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate

3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate (PubChem CID 67659568) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate.

Molecular Properties

Compound Name3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate
PubChem CID67659568
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate
SMILESO=C(OCC=Cc1ncccc1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO3/c24-22(19-11-5-2-6-12-19)25-16-8-13-20-21(14-7-15-23-20)26-17-18-9-3-1-4-10-18/h1-15H,16-17H2
InChIKeyWJPBQLBAPWGQDU-UHFFFAOYSA-N
XLogP4.53
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl benzoate
CID 2345
[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate
CID 97380584
[(E)-but-2-enyl] benzoate
CID 5352600
[(E)-4-bromobut-2-enyl] benzoate
CID 14236878
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate
CID 54240947
[(E)-4-oxobut-2-enyl] benzoate
CID 10943265
3-phenylprop-2-enyl 3-hydroxybenzoate
CID 71953563
2-oxo-3-(3-phenylmethoxy-2-pyridinyl)propanoic acid
CID 90838108
propyl 4-[(2-aminophenoxy)methyl]benzoate
CID 39109159
1-[(E)-3-methoxyprop-1-enyl]-2-phenylmethoxybenzene
CID 141153836
4-(2-phenylmethoxyphenyl)but-3-en-1-ol
CID 54307612
benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate
CID 169471041

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate?
The IUPAC name of 3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate (CID 67659568) is 3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate.
What is the SMILES notation for 3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate?
The canonical SMILES for 3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate is O=C(OCC=Cc1ncccc1OCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate?
The InChIKey is WJPBQLBAPWGQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-22(19-11-5-2-6-12-19)25-16-8-13-20-21(14-7-15-23-20)26-17-18-9-3-1-4-10-18/h1-15H,16-17H2.
What are the key properties of 3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate?
3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate has a molecular weight of 345.40 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylmethoxy-2-pyridinyl)prop-2-enyl benzoate is sourced from PubChem (CID 67659568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).