2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione

C18H13NO4 — CID 102495133

IUPAC2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione
SMILESO=C1OCCC1c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H13NO4/c20-16-14-3-1-2-4-15(14)17(21)19(16)12-7-5-11(6-8-12)13-9-10-23-18(13)22/h1-8,13H,9-10H2
InChIKeyOIMLVNLYQIGSQX-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.52
Rot. Bonds2

About 2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione

2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione (PubChem CID 102495133) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione
PubChem CID102495133
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione
SMILESO=C1OCCC1c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H13NO4/c20-16-14-3-1-2-4-15(14)17(21)19(16)12-7-5-11(6-8-12)13-9-10-23-18(13)22/h1-8,13H,9-10H2
InChIKeyOIMLVNLYQIGSQX-UHFFFAOYSA-N
XLogP2.52
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
(3S)-3-(4-methoxyphenyl)oxolan-2-one
CID 124514698
4-[(3R)-2-oxooxolan-3-yl]benzoic acid
CID 86754139
2-[4-(4-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione
CID 168518107
2-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]isoindole-1,3-dione;hydrochloride
CID 86729921
2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione
CID 134093229
2-[4-[(4-methylphenyl)diazenyl]phenyl]isoindole-1,3-dione
CID 4677085
2-[3-bromo-5-(1,3-dioxolan-2-yl)phenyl]isoindole-1,3-dione
CID 168517947
2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 765459
2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]isoindole-1,3-dione
CID 168518349
2-[4-(trihydroxy-λ4-sulfanyl)phenyl]isoindole-1,3-dione
CID 20755596
6,13-bis(4-cyclopentylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 58934403

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione (CID 102495133) is 2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione is O=C1OCCC1c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione?
The InChIKey is OIMLVNLYQIGSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c20-16-14-3-1-2-4-15(14)17(21)19(16)12-7-5-11(6-8-12)13-9-10-23-18(13)22/h1-8,13H,9-10H2.
What are the key properties of 2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione?
2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione has a molecular weight of 307.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 102495133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).