cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]acetate

C23H25NO6 — CID 67466399

IUPACcyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]acetate
SMILESCOc1ccc(-c2ccc3c(c2)CNC3=O)c(OCC(=O)OC2CCCC2)c1OC
InChIInChI=1S/C23H25NO6/c1-27-19-10-9-17(14-7-8-18-15(11-14)12-24-23(18)26)21(22(19)28-2)29-13-20(25)30-16-5-3-4-6-16/h7-11,16H,3-6,12-13H2,1-2H3,(H,24,26)
InChIKeyJMFLYLHONRTPMB-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.48
Rot. Bonds7

About cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]acetate

cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]acetate (PubChem CID 67466399) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]acetate.

Molecular Properties

Compound Namecyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]acetate
PubChem CID67466399
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC Namecyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]acetate
SMILESCOc1ccc(-c2ccc3c(c2)CNC3=O)c(OCC(=O)OC2CCCC2)c1OC
InChIInChI=1S/C23H25NO6/c1-27-19-10-9-17(14-7-8-18-15(11-14)12-24-23(18)26)21(22(19)28-2)29-13-20(25)30-16-5-3-4-6-16/h7-11,16H,3-6,12-13H2,1-2H3,(H,24,26)
InChIKeyJMFLYLHONRTPMB-UHFFFAOYSA-N
XLogP3.48
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]acetate?
The IUPAC name of cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]acetate (CID 67466399) is cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]acetate.
What is the SMILES notation for cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]acetate?
The canonical SMILES for cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]acetate is COc1ccc(-c2ccc3c(c2)CNC3=O)c(OCC(=O)OC2CCCC2)c1OC.
What is the InChIKey of cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]acetate?
The InChIKey is JMFLYLHONRTPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6/c1-27-19-10-9-17(14-7-8-18-15(11-14)12-24-23(18)26)21(22(19)28-2)29-13-20(25)30-16-5-3-4-6-16/h7-11,16H,3-6,12-13H2,1-2H3,(H,24,26).
What are the key properties of cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]acetate?
cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]acetate has a molecular weight of 411.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-5-yl)phenoxy]acetate is sourced from PubChem (CID 67466399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).