4-[6-[[4-(2-carboxyethyl)phenyl]methoxy]-2-pyridinyl]-3,5-dimethylbenzoic acid

C24H23NO5 — CID 86303332

IUPAC4-[6-[[4-(2-carboxyethyl)phenyl]methoxy]-2-pyridinyl]-3,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1-c1cccc(OCc2ccc(CCC(=O)O)cc2)n1
InChIInChI=1S/C24H23NO5/c1-15-12-19(24(28)29)13-16(2)23(15)20-4-3-5-21(25-20)30-14-18-8-6-17(7-9-18)10-11-22(26)27/h3-9,12-13H,10-11,14H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyOISBVCWXISYQFE-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.66
Rot. Bonds8

About 4-[6-[[4-(2-carboxyethyl)phenyl]methoxy]-2-pyridinyl]-3,5-dimethylbenzoic acid

4-[6-[[4-(2-carboxyethyl)phenyl]methoxy]-2-pyridinyl]-3,5-dimethylbenzoic acid (PubChem CID 86303332) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 4-[6-[[4-(2-carboxyethyl)phenyl]methoxy]-2-pyridinyl]-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name4-[6-[[4-(2-carboxyethyl)phenyl]methoxy]-2-pyridinyl]-3,5-dimethylbenzoic acid
PubChem CID86303332
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name4-[6-[[4-(2-carboxyethyl)phenyl]methoxy]-2-pyridinyl]-3,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1-c1cccc(OCc2ccc(CCC(=O)O)cc2)n1
InChIInChI=1S/C24H23NO5/c1-15-12-19(24(28)29)13-16(2)23(15)20-4-3-5-21(25-20)30-14-18-8-6-17(7-9-18)10-11-22(26)27/h3-9,12-13H,10-11,14H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyOISBVCWXISYQFE-UHFFFAOYSA-N
XLogP4.66
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-fluoro-4-[[6-[4-(2-methoxyethoxy)-2,6-dimethylphenyl]-2-pyridinyl]oxymethyl]phenyl]propanoic acid
CID 86304248
2-[6-[[6-[2,6-dimethyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]oxymethyl]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 86304559
3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
CID 9149869
2-[6-[[6-[2,6-dimethyl-4-(4-methylsulfanylbutoxy)phenyl]-2-pyridinyl]oxymethyl]-2,3-dihydro-1-benzothiophen-3-yl]acetic acid
CID 144732341
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid
CID 65478013
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
4-(pyridin-2-yloxymethyl)benzoic acid
CID 21105508
3-[[4-[(4-tert-butylphenyl)methoxy]-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]benzoic acid
CID 163246942
3-[4-[[4-[(7-methylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23159869
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
3-[4-[[3-[4-[2-(dimethylamino)ethoxy]-2,6-dimethylphenyl]phenyl]methoxy]phenyl]propanoic acid
CID 58903105

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[4-(2-carboxyethyl)phenyl]methoxy]-2-pyridinyl]-3,5-dimethylbenzoic acid?
The IUPAC name of 4-[6-[[4-(2-carboxyethyl)phenyl]methoxy]-2-pyridinyl]-3,5-dimethylbenzoic acid (CID 86303332) is 4-[6-[[4-(2-carboxyethyl)phenyl]methoxy]-2-pyridinyl]-3,5-dimethylbenzoic acid.
What is the SMILES notation for 4-[6-[[4-(2-carboxyethyl)phenyl]methoxy]-2-pyridinyl]-3,5-dimethylbenzoic acid?
The canonical SMILES for 4-[6-[[4-(2-carboxyethyl)phenyl]methoxy]-2-pyridinyl]-3,5-dimethylbenzoic acid is Cc1cc(C(=O)O)cc(C)c1-c1cccc(OCc2ccc(CCC(=O)O)cc2)n1.
What is the InChIKey of 4-[6-[[4-(2-carboxyethyl)phenyl]methoxy]-2-pyridinyl]-3,5-dimethylbenzoic acid?
The InChIKey is OISBVCWXISYQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-15-12-19(24(28)29)13-16(2)23(15)20-4-3-5-21(25-20)30-14-18-8-6-17(7-9-18)10-11-22(26)27/h3-9,12-13H,10-11,14H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 4-[6-[[4-(2-carboxyethyl)phenyl]methoxy]-2-pyridinyl]-3,5-dimethylbenzoic acid?
4-[6-[[4-(2-carboxyethyl)phenyl]methoxy]-2-pyridinyl]-3,5-dimethylbenzoic acid has a molecular weight of 405.45 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[4-(2-carboxyethyl)phenyl]methoxy]-2-pyridinyl]-3,5-dimethylbenzoic acid is sourced from PubChem (CID 86303332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).