(3-phenoxy-4-pyridinyl) propanoate

C14H13NO3 — CID 19755132

IUPAC(3-phenoxy-4-pyridinyl) propanoate
SMILESCCC(=O)Oc1ccncc1Oc1ccccc1
InChIInChI=1S/C14H13NO3/c1-2-14(16)18-12-8-9-15-10-13(12)17-11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyTYOOSICWZBBAMQ-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.19
Rot. Bonds4

About (3-phenoxy-4-pyridinyl) propanoate

(3-phenoxy-4-pyridinyl) propanoate (PubChem CID 19755132) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is (3-phenoxy-4-pyridinyl) propanoate.

Molecular Properties

Compound Name(3-phenoxy-4-pyridinyl) propanoate
PubChem CID19755132
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name(3-phenoxy-4-pyridinyl) propanoate
SMILESCCC(=O)Oc1ccncc1Oc1ccccc1
InChIInChI=1S/C14H13NO3/c1-2-14(16)18-12-8-9-15-10-13(12)17-11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyTYOOSICWZBBAMQ-UHFFFAOYSA-N
XLogP3.19
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-3-pyridinyl) propanoate
CID 175779158
phenyl propanoate
CID 161258381
CID 161494205
CID 161494205
[4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate
CID 156905483
(4-phenoxy-3-pyridinyl)methanol
CID 67434840
acetamide;phenyl propanoate
CID 175120271
quinolin-4-yl propanoate
CID 174834385
phenyl butanoate;phenyl propanoate
CID 139490117
3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 104629426
[3-[2-(dimethylamino)phenoxy]phenyl] propanoate
CID 19421801
4-pentyl-3-phenoxypyridine
CID 173046751
[3-[2-(dimethylamino)ethyl]-2-phenoxyphenyl] propanoate
CID 174774680

Frequently Asked Questions

What is the IUPAC name of (3-phenoxy-4-pyridinyl) propanoate?
The IUPAC name of (3-phenoxy-4-pyridinyl) propanoate (CID 19755132) is (3-phenoxy-4-pyridinyl) propanoate.
What is the SMILES notation for (3-phenoxy-4-pyridinyl) propanoate?
The canonical SMILES for (3-phenoxy-4-pyridinyl) propanoate is CCC(=O)Oc1ccncc1Oc1ccccc1.
What is the InChIKey of (3-phenoxy-4-pyridinyl) propanoate?
The InChIKey is TYOOSICWZBBAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-14(16)18-12-8-9-15-10-13(12)17-11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of (3-phenoxy-4-pyridinyl) propanoate?
(3-phenoxy-4-pyridinyl) propanoate has a molecular weight of 243.26 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxy-4-pyridinyl) propanoate is sourced from PubChem (CID 19755132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).