2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione

C19H17NO4 — CID 41444589

IUPAC2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(OC[C@H]2CCCO2)c1
InChIInChI=1S/C19H17NO4/c21-18-16-8-1-2-9-17(16)19(22)20(18)13-5-3-6-14(11-13)24-12-15-7-4-10-23-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2/t15-/m1/s1
InChIKeyKMKPOWQTPKDJQL-OAHLLOKOSA-N
MW323.35 g/mol
LogP3.05
Rot. Bonds4

About 2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione

2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione (PubChem CID 41444589) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione
PubChem CID41444589
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(OC[C@H]2CCCO2)c1
InChIInChI=1S/C19H17NO4/c21-18-16-8-1-2-9-17(16)19(22)20(18)13-5-3-6-14(11-13)24-12-15-7-4-10-23-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2/t15-/m1/s1
InChIKeyKMKPOWQTPKDJQL-OAHLLOKOSA-N
XLogP3.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione with MolForge

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Related Compounds

5-(oxiran-2-ylmethoxy)-2-[3-(oxiran-2-ylmethoxy)phenyl]isoindole-1,3-dione
CID 139773379
2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one
CID 54777891
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one
CID 54777762
3-[[(2S)-oxan-2-yl]methoxy]benzaldehyde
CID 93037571
2-(9-oxoacridin-10-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 42950421
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
N-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine
CID 54792777
1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-2-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]isoindole-5-carboxamide
CID 41340050
5-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]-1,3-diazinane-2,4,6-trione
CID 98449523

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione (CID 41444589) is 2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc(OC[C@H]2CCCO2)c1.
What is the InChIKey of 2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione?
The InChIKey is KMKPOWQTPKDJQL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17NO4/c21-18-16-8-1-2-9-17(16)19(22)20(18)13-5-3-6-14(11-13)24-12-15-7-4-10-23-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2/t15-/m1/s1.
What are the key properties of 2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione?
2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione has a molecular weight of 323.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 41444589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).