2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one

C26H25NO2 — CID 53390601

IUPAC2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one
SMILESO=C1c2ccc(OCc3cccc(-c4ccccc4)c3)cc2CN1C1CCCC1
InChIInChI=1S/C26H25NO2/c28-26-25-14-13-24(16-22(25)17-27(26)23-11-4-5-12-23)29-18-19-7-6-10-21(15-19)20-8-2-1-3-9-20/h1-3,6-10,13-16,23H,4-5,11-12,17-18H2
InChIKeyPOPKTGVNWBKZTD-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.83
Rot. Bonds5

About 2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one

2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one (PubChem CID 53390601) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one
PubChem CID53390601
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one
SMILESO=C1c2ccc(OCc3cccc(-c4ccccc4)c3)cc2CN1C1CCCC1
InChIInChI=1S/C26H25NO2/c28-26-25-14-13-24(16-22(25)17-27(26)23-11-4-5-12-23)29-18-19-7-6-10-21(15-19)20-8-2-1-3-9-20/h1-3,6-10,13-16,23H,4-5,11-12,17-18H2
InChIKeyPOPKTGVNWBKZTD-UHFFFAOYSA-N
XLogP5.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one?
The IUPAC name of 2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one (CID 53390601) is 2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one?
The canonical SMILES for 2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one is O=C1c2ccc(OCc3cccc(-c4ccccc4)c3)cc2CN1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one?
The InChIKey is POPKTGVNWBKZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c28-26-25-14-13-24(16-22(25)17-27(26)23-11-4-5-12-23)29-18-19-7-6-10-21(15-19)20-8-2-1-3-9-20/h1-3,6-10,13-16,23H,4-5,11-12,17-18H2.
What are the key properties of 2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one?
2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one has a molecular weight of 383.49 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one is sourced from PubChem (CID 53390601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).