4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid

C18H21NO3 — CID 137487819

IUPAC4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid
SMILESCc1ccc(OCCc2ccccc2CCCC(=O)O)cn1
InChIInChI=1S/C18H21NO3/c1-14-9-10-17(13-19-14)22-12-11-16-6-3-2-5-15(16)7-4-8-18(20)21/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,20,21)
InChIKeyDQBJDYGRSVXXTR-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.42
Rot. Bonds8

About 4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid

4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid (PubChem CID 137487819) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid
PubChem CID137487819
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid
SMILESCc1ccc(OCCc2ccccc2CCCC(=O)O)cn1
InChIInChI=1S/C18H21NO3/c1-14-9-10-17(13-19-14)22-12-11-16-6-3-2-5-15(16)7-4-8-18(20)21/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,20,21)
InChIKeyDQBJDYGRSVXXTR-UHFFFAOYSA-N
XLogP3.42
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic 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

2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 62073745
5-butoxy-2-methylpyridine
CID 13154052
N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide
CID 46872843
4-[2-(3-methoxy-3-oxopropyl)phenyl]butanoic acid
CID 18944108
3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid
CID 55182246
N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 62440305
N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide
CID 55030985
3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one
CID 114608443
azane;N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide;platinum(2+);dichloride
CID 46873182
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
9-phenoxynonanoic acid
CID 15887638
4-[2-(12-bromododecyl)phenyl]butanoic acid
CID 23352565

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid?
The IUPAC name of 4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid (CID 137487819) is 4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid.
What is the SMILES notation for 4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid?
The canonical SMILES for 4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid is Cc1ccc(OCCc2ccccc2CCCC(=O)O)cn1.
What is the InChIKey of 4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid?
The InChIKey is DQBJDYGRSVXXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14-9-10-17(13-19-14)22-12-11-16-6-3-2-5-15(16)7-4-8-18(20)21/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,20,21).
What are the key properties of 4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid?
4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid has a molecular weight of 299.37 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid is sourced from PubChem (CID 137487819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).