3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid

C15H13NO3 — CID 53405811

IUPAC3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccccc1OCc1ccncc1
InChIInChI=1S/C15H13NO3/c17-15(18)6-5-13-3-1-2-4-14(13)19-11-12-7-9-16-10-8-12/h1-10H,11H2,(H,17,18)
InChIKeyRRNOZLJRYMIPIS-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.76
Rot. Bonds5

About 3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid

3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid (PubChem CID 53405811) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
PubChem CID53405811
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccccc1OCc1ccncc1
InChIInChI=1S/C15H13NO3/c17-15(18)6-5-13-3-1-2-4-14(13)19-11-12-7-9-16-10-8-12/h1-10H,11H2,(H,17,18)
InChIKeyRRNOZLJRYMIPIS-UHFFFAOYSA-N
XLogP2.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
(E)-3-[3-methyl-2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 115957332
3-[3-bromo-2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 76899316
3-[2-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 5116496
(E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 15255199
3-(4-iodo-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 68631589
3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid
CID 175151116
3-[5-(carboxymethyl)-2-phenylmethoxyphenyl]prop-2-enoic acid
CID 57319289
(E)-3-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 107699661
3-(2-pent-4-enoxyphenyl)prop-2-enoic acid
CID 77034106
3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22685156
3-[2-[2-(2-chlorophenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20987887

Frequently Asked Questions

What is the IUPAC name of 3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid (CID 53405811) is 3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid is O=C(O)C=Cc1ccccc1OCc1ccncc1.
What is the InChIKey of 3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid?
The InChIKey is RRNOZLJRYMIPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-15(18)6-5-13-3-1-2-4-14(13)19-11-12-7-9-16-10-8-12/h1-10H,11H2,(H,17,18).
What are the key properties of 3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid?
3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid has a molecular weight of 255.27 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 53405811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).