2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione

C22H17NO3 — CID 135054615

IUPAC2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H]1COC[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C22H17NO3/c24-21-17-7-3-4-8-18(17)22(25)23(21)20-13-26-12-19(20)16-10-9-14-5-1-2-6-15(14)11-16/h1-11,19-20H,12-13H2/t19-,20+/m1/s1
InChIKeyQRRMVZCBRHOMFO-UXHICEINSA-N
MW343.38 g/mol
LogP3.62
Rot. Bonds2

About 2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione

2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione (PubChem CID 135054615) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione
PubChem CID135054615
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H]1COC[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C22H17NO3/c24-21-17-7-3-4-8-18(17)22(25)23(21)20-13-26-12-19(20)16-10-9-14-5-1-2-6-15(14)11-16/h1-11,19-20H,12-13H2/t19-,20+/m1/s1
InChIKeyQRRMVZCBRHOMFO-UXHICEINSA-N
XLogP3.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione with MolForge

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Related Compounds

3-(2-butoxyethyl)-7-methyl-2-[4-(trifluoromethyl)benzoyl]-3H-isoindol-1-one
CID 162643646
3-(1,3-Dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoic acid
CID 9862989
(1R,2R)-2-(Naphthalene-2,3-dicarboximido)cyclohexanecarboxylic Acid
CID 44629756
(1S,2S)-2-(Naphthalene-2,3-dicarboximido)cyclohexanecarboxylic Acid
CID 44629757
3-(5-Methyl-1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoic acid
CID 145959977
2-[(3S,4S)-4-[3-(trifluoromethyl)phenyl]oxolan-3-yl]isoindole-1,3-dione
CID 134844839
2-[(3S,4S)-4-[4-(trifluoromethyl)phenyl]oxolan-3-yl]isoindole-1,3-dione
CID 134845568
2-[(3R,4R)-4-[4-(trifluoromethyl)phenyl]oxolan-3-yl]isoindole-1,3-dione
CID 135055608
2-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]isoindole-1,3-dione
CID 12176190
Methyl 3-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate
CID 17876635
n-Butylanthraceneimide
CID 58821977
2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione
CID 126612390

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione (CID 135054615) is 2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@H]1COC[C@@H]1c1ccc2ccccc2c1.
What is the InChIKey of 2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione?
The InChIKey is QRRMVZCBRHOMFO-UXHICEINSA-N. The full InChI is InChI=1S/C22H17NO3/c24-21-17-7-3-4-8-18(17)22(25)23(21)20-13-26-12-19(20)16-10-9-14-5-1-2-6-15(14)11-16/h1-11,19-20H,12-13H2/t19-,20+/m1/s1.
What are the key properties of 2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione?
2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione has a molecular weight of 343.38 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-naphthalen-2-yloxolan-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 135054615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).