benzyl (E,2R)-4-phenyl-2-pyridin-2-yloxybut-3-enoate

C22H19NO3 — CID 132574243

IUPACbenzyl (E,2R)-4-phenyl-2-pyridin-2-yloxybut-3-enoate
SMILESO=C(OCc1ccccc1)[C@@H](/C=C/c1ccccc1)Oc1ccccn1
InChIInChI=1S/C22H19NO3/c24-22(25-17-19-11-5-2-6-12-19)20(26-21-13-7-8-16-23-21)15-14-18-9-3-1-4-10-18/h1-16,20H,17H2/b15-14+/t20-/m1/s1
InChIKeyJLPHWWSHRQYTQO-DAMWEWLOSA-N
MW345.40 g/mol
LogP4.29
Rot. Bonds7

About benzyl (E,2R)-4-phenyl-2-pyridin-2-yloxybut-3-enoate

benzyl (E,2R)-4-phenyl-2-pyridin-2-yloxybut-3-enoate (PubChem CID 132574243) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is benzyl (E,2R)-4-phenyl-2-pyridin-2-yloxybut-3-enoate.

Molecular Properties

Compound Namebenzyl (E,2R)-4-phenyl-2-pyridin-2-yloxybut-3-enoate
PubChem CID132574243
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Namebenzyl (E,2R)-4-phenyl-2-pyridin-2-yloxybut-3-enoate
SMILESO=C(OCc1ccccc1)[C@@H](/C=C/c1ccccc1)Oc1ccccn1
InChIInChI=1S/C22H19NO3/c24-22(25-17-19-11-5-2-6-12-19)20(26-21-13-7-8-16-23-21)15-14-18-9-3-1-4-10-18/h1-16,20H,17H2/b15-14+/t20-/m1/s1
InChIKeyJLPHWWSHRQYTQO-DAMWEWLOSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate
CID 134904469
benzyl (2S)-2-aminopropanoate
CID 726858
pyridin-2-yl (E)-3-phenylprop-2-enoate
CID 10537171
benzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate
CID 54022974
tetrabenzyl propane-1,1,3,3-tetracarboxylate
CID 139256040
benzyl 2-amino-2-hydroxyacetate
CID 123342440
ethyl (E,2R,3S)-2-benzyl-3-methyl-5-phenylpent-4-enoate
CID 134973992
4-(pyridin-2-yloxymethyl)benzoic acid
CID 21105508
benzyl (E,2S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]-2-prop-2-enylpent-4-enoate
CID 58622798
benzyl 2,3-diaminopropanoate
CID 19891176
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
benzyl 4-(2-hydroxy-3-pyridin-2-yloxypropoxy)butanoate
CID 134368666

Frequently Asked Questions

What is the IUPAC name of benzyl (E,2R)-4-phenyl-2-pyridin-2-yloxybut-3-enoate?
The IUPAC name of benzyl (E,2R)-4-phenyl-2-pyridin-2-yloxybut-3-enoate (CID 132574243) is benzyl (E,2R)-4-phenyl-2-pyridin-2-yloxybut-3-enoate.
What is the SMILES notation for benzyl (E,2R)-4-phenyl-2-pyridin-2-yloxybut-3-enoate?
The canonical SMILES for benzyl (E,2R)-4-phenyl-2-pyridin-2-yloxybut-3-enoate is O=C(OCc1ccccc1)[C@@H](/C=C/c1ccccc1)Oc1ccccn1.
What is the InChIKey of benzyl (E,2R)-4-phenyl-2-pyridin-2-yloxybut-3-enoate?
The InChIKey is JLPHWWSHRQYTQO-DAMWEWLOSA-N. The full InChI is InChI=1S/C22H19NO3/c24-22(25-17-19-11-5-2-6-12-19)20(26-21-13-7-8-16-23-21)15-14-18-9-3-1-4-10-18/h1-16,20H,17H2/b15-14+/t20-/m1/s1.
What are the key properties of benzyl (E,2R)-4-phenyl-2-pyridin-2-yloxybut-3-enoate?
benzyl (E,2R)-4-phenyl-2-pyridin-2-yloxybut-3-enoate has a molecular weight of 345.40 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (E,2R)-4-phenyl-2-pyridin-2-yloxybut-3-enoate is sourced from PubChem (CID 132574243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).