2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid

C17H15NO4 — CID 71339265

IUPAC2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid
SMILESCC(Oc1ccc(N2Cc3ccccc3C2=O)cc1)C(=O)O
InChIInChI=1S/C17H15NO4/c1-11(17(20)21)22-14-8-6-13(7-9-14)18-10-12-4-2-3-5-15(12)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyAAUMOLNCGADNKU-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.70
Rot. Bonds4

About 2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid

2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid (PubChem CID 71339265) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid
PubChem CID71339265
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid
SMILESCC(Oc1ccc(N2Cc3ccccc3C2=O)cc1)C(=O)O
InChIInChI=1S/C17H15NO4/c1-11(17(20)21)22-14-8-6-13(7-9-14)18-10-12-4-2-3-5-15(12)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyAAUMOLNCGADNKU-UHFFFAOYSA-N
XLogP2.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108
N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 54859968
3,3,4,4,4-pentadeuterio-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
CID 163322451
butanedioic acid;(2S)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
CID 56652023
N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide
CID 56624959
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 168517450
2-[4-[4-(4-methoxyphenyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid
CID 24757049
nitric acid;2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
CID 56652366
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
N-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide
CID 24757472
N,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide
CID 10277610
2-(4-isocyanatophenyl)-3H-isoindol-1-one
CID 169353440

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid?
The IUPAC name of 2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid (CID 71339265) is 2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid?
The canonical SMILES for 2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid is CC(Oc1ccc(N2Cc3ccccc3C2=O)cc1)C(=O)O.
What is the InChIKey of 2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid?
The InChIKey is AAUMOLNCGADNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-11(17(20)21)22-14-8-6-13(7-9-14)18-10-12-4-2-3-5-15(12)16(18)19/h2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid?
2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid has a molecular weight of 297.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid is sourced from PubChem (CID 71339265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).