2-(5-phenylmethoxynaphthalen-1-yl)isoindole-1,3-dione

C25H17NO3 — CID 91699383

IUPAC2-(5-phenylmethoxynaphthalen-1-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc2c(OCc3ccccc3)cccc12
InChIInChI=1S/C25H17NO3/c27-24-20-10-4-5-11-21(20)25(28)26(24)22-14-6-13-19-18(22)12-7-15-23(19)29-16-17-8-2-1-3-9-17/h1-15H,16H2
InChIKeyGYCRZDOJBRFZOJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.22
Rot. Bonds4

About 2-(5-phenylmethoxynaphthalen-1-yl)isoindole-1,3-dione

2-(5-phenylmethoxynaphthalen-1-yl)isoindole-1,3-dione (PubChem CID 91699383) has the molecular formula C25H17NO3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(5-phenylmethoxynaphthalen-1-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-phenylmethoxynaphthalen-1-yl)isoindole-1,3-dione
PubChem CID91699383
Molecular FormulaC25H17NO3
Molecular Weight379.42 g/mol
Exact Mass379.12
IUPAC Name2-(5-phenylmethoxynaphthalen-1-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc2c(OCc3ccccc3)cccc12
InChIInChI=1S/C25H17NO3/c27-24-20-10-4-5-11-21(20)25(28)26(24)22-14-6-13-19-18(22)12-7-15-23(19)29-16-17-8-2-1-3-9-17/h1-15H,16H2
InChIKeyGYCRZDOJBRFZOJ-UHFFFAOYSA-N
XLogP5.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-(4-(8-Fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one
CID 24738459
6-(3-(4-(Naphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068905
6-(3-(4-(7-Fluoronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068906
6-(3-(4-(8-Fluoronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068907
5-Fluoro-6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25069239
5-Fluoro-6-(4-(4-(naphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one
CID 25069243
5-Fluoro-6-(4-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one
CID 25069298
5-Fluoro-6-(4-(4-(6-fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one
CID 25069299
6-(4-(4-(Naphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one
CID 46946859
6-(4-(4-(7-Fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one
CID 52942916
2-(4-ethoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 709445
1H-Isoindole-1,3(2H)-dione, 2-(4-methoxy-2-methylphenyl)-
CID 10492042

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylmethoxynaphthalen-1-yl)isoindole-1,3-dione?
The IUPAC name of 2-(5-phenylmethoxynaphthalen-1-yl)isoindole-1,3-dione (CID 91699383) is 2-(5-phenylmethoxynaphthalen-1-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(5-phenylmethoxynaphthalen-1-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(5-phenylmethoxynaphthalen-1-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc2c(OCc3ccccc3)cccc12.
What is the InChIKey of 2-(5-phenylmethoxynaphthalen-1-yl)isoindole-1,3-dione?
The InChIKey is GYCRZDOJBRFZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO3/c27-24-20-10-4-5-11-21(20)25(28)26(24)22-14-6-13-19-18(22)12-7-15-23(19)29-16-17-8-2-1-3-9-17/h1-15H,16H2.
What are the key properties of 2-(5-phenylmethoxynaphthalen-1-yl)isoindole-1,3-dione?
2-(5-phenylmethoxynaphthalen-1-yl)isoindole-1,3-dione has a molecular weight of 379.42 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylmethoxynaphthalen-1-yl)isoindole-1,3-dione is sourced from PubChem (CID 91699383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).