4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid

C22H21NO4 — CID 138532493

IUPAC4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid
SMILESCOCCc1cnc(-c2ccc(OC)cc2)c(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C22H21NO4/c1-26-12-11-15-13-20(16-3-5-18(6-4-16)22(24)25)21(23-14-15)17-7-9-19(27-2)10-8-17/h3-10,13-14H,11-12H2,1-2H3,(H,24,25)
InChIKeyAKMGMLIHJJUQGI-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.31
Rot. Bonds7

About 4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid

4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid (PubChem CID 138532493) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid
PubChem CID138532493
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid
SMILESCOCCc1cnc(-c2ccc(OC)cc2)c(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C22H21NO4/c1-26-12-11-15-13-20(16-3-5-18(6-4-16)22(24)25)21(23-14-15)17-7-9-19(27-2)10-8-17/h3-10,13-14H,11-12H2,1-2H3,(H,24,25)
InChIKeyAKMGMLIHJJUQGI-UHFFFAOYSA-N
XLogP4.31
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-3-pyridinyl]benzoic acid;methyl 4-[2-(4-methoxyphenyl)-5-(propoxymethyl)-3-pyridinyl]benzoate
CID 160652206
3-[4-[5-(2-ethoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]phenyl]propanoic acid
CID 138532242
4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid
CID 138532432
2,3,5-tris(4-methoxyphenyl)pyridine
CID 10834626
4-[3-(3,5-difluoro-4-methoxyphenyl)-6-(3-methoxypropyl)pyrazin-2-yl]benzoic acid
CID 138532305
2-(4-methoxyphenyl)-5-(3-methoxypropyl)pyridin-3-ol;[2-(4-methoxyphenyl)-5-(3-methoxypropyl)-3-pyridinyl] trifluoromethanesulfonate
CID 160937048
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
4-ethoxy-3-(4-methoxyphenyl)benzoic acid
CID 110282209
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid?
The IUPAC name of 4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid (CID 138532493) is 4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid?
The canonical SMILES for 4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid is COCCc1cnc(-c2ccc(OC)cc2)c(-c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid?
The InChIKey is AKMGMLIHJJUQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-26-12-11-15-13-20(16-3-5-18(6-4-16)22(24)25)21(23-14-15)17-7-9-19(27-2)10-8-17/h3-10,13-14H,11-12H2,1-2H3,(H,24,25).
What are the key properties of 4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid?
4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid has a molecular weight of 363.41 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid is sourced from PubChem (CID 138532493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).