4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid

C15H15NO3 — CID 22496064

IUPAC4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid
SMILESO=C(O)CC(Cc1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C15H15NO3/c17-14-5-3-11(4-6-14)8-13(9-15(18)19)12-2-1-7-16-10-12/h1-7,10,13,17H,8-9H2,(H,18,19)
InChIKeyDTPXQZNJARGDND-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.59
Rot. Bonds5

About 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid

4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid (PubChem CID 22496064) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid
PubChem CID22496064
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid
SMILESO=C(O)CC(Cc1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C15H15NO3/c17-14-5-3-11(4-6-14)8-13(9-15(18)19)12-2-1-7-16-10-12/h1-7,10,13,17H,8-9H2,(H,18,19)
InChIKeyDTPXQZNJARGDND-UHFFFAOYSA-N
XLogP2.59
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic 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-(4-hydroxyphenyl)-3-phenylbutanoic acid
CID 18772164
ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate
CID 22496088
4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid
CID 110447349
2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 104905410
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid
CID 139662203
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862
4-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)butanoic acid
CID 54127958
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(4-hydroxyphenyl)acetamide
CID 75380343

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid?
The IUPAC name of 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid (CID 22496064) is 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid.
What is the SMILES notation for 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid?
The canonical SMILES for 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid is O=C(O)CC(Cc1ccc(O)cc1)c1cccnc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid?
The InChIKey is DTPXQZNJARGDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-14-5-3-11(4-6-14)8-13(9-15(18)19)12-2-1-7-16-10-12/h1-7,10,13,17H,8-9H2,(H,18,19).
What are the key properties of 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid?
4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid is sourced from PubChem (CID 22496064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).