4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic acid

C23H25NO4 — CID 155052022

IUPAC4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic acid
SMILESCCCOCC1=CC(c2ccc(C(=O)O)cc2)C(c2ccc(OC)cc2)N=C1
InChIInChI=1S/C23H25NO4/c1-3-12-28-15-16-13-21(17-4-6-19(7-5-17)23(25)26)22(24-14-16)18-8-10-20(27-2)11-9-18/h4-11,13-14,21-22H,3,12,15H2,1-2H3,(H,25,26)
InChIKeyHMVQLRFVALRSCP-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.66
Rot. Bonds8

About 4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic acid

4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic acid (PubChem CID 155052022) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic acid
PubChem CID155052022
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic acid
SMILESCCCOCC1=CC(c2ccc(C(=O)O)cc2)C(c2ccc(OC)cc2)N=C1
InChIInChI=1S/C23H25NO4/c1-3-12-28-15-16-13-21(17-4-6-19(7-5-17)23(25)26)22(24-14-16)18-8-10-20(27-2)11-9-18/h4-11,13-14,21-22H,3,12,15H2,1-2H3,(H,25,26)
InChIKeyHMVQLRFVALRSCP-UHFFFAOYSA-N
XLogP4.66
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic 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

4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
ethyl acetate;4-methoxybenzoic acid
CID 158342660
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
4-methoxybenzoic acid;pyridine
CID 174860408
4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-3-pyridinyl]benzoic acid;methyl 4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-3-pyridinyl]benzoate
CID 160652206
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
4-(2-propoxyacetyl)benzoic acid
CID 57076032
4-(2-propoxyethoxycarbonyloxy)benzoic acid
CID 170391078
4-hydroxybenzoic acid;4-methoxybenzoic acid;4-pentylphenol
CID 70601165
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
CID 22421309

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic acid?
The IUPAC name of 4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic acid (CID 155052022) is 4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic acid.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic acid?
The canonical SMILES for 4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic acid is CCCOCC1=CC(c2ccc(C(=O)O)cc2)C(c2ccc(OC)cc2)N=C1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic acid?
The InChIKey is HMVQLRFVALRSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-3-12-28-15-16-13-21(17-4-6-19(7-5-17)23(25)26)22(24-14-16)18-8-10-20(27-2)11-9-18/h4-11,13-14,21-22H,3,12,15H2,1-2H3,(H,25,26).
What are the key properties of 4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic acid?
4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic acid has a molecular weight of 379.46 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-2,3-dihydropyridin-3-yl]benzoic acid is sourced from PubChem (CID 155052022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).