7-(5-phenylmethoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one

C23H18N2O2 — CID 16666806

IUPAC7-(5-phenylmethoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cccc(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)c21
InChIInChI=1S/C23H18N2O2/c26-23-22-16(13-24-23)7-4-8-19(22)21-12-17-11-18(9-10-20(17)25-21)27-14-15-5-2-1-3-6-15/h1-12,25H,13-14H2,(H,24,26)
InChIKeyUIQCZMYFTSFLPQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.66
Rot. Bonds4

About 7-(5-phenylmethoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one

7-(5-phenylmethoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one (PubChem CID 16666806) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 7-(5-phenylmethoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-(5-phenylmethoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one
PubChem CID16666806
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name7-(5-phenylmethoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cccc(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)c21
InChIInChI=1S/C23H18N2O2/c26-23-22-16(13-24-23)7-4-8-19(22)21-12-17-11-18(9-10-20(17)25-21)27-14-15-5-2-1-3-6-15/h1-12,25H,13-14H2,(H,24,26)
InChIKeyUIQCZMYFTSFLPQ-UHFFFAOYSA-N
XLogP4.66
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(5-phenylmethoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-(5-phenylmethoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one (CID 16666806) is 7-(5-phenylmethoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-(5-phenylmethoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-(5-phenylmethoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one is O=C1NCc2cccc(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)c21.
What is the InChIKey of 7-(5-phenylmethoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is UIQCZMYFTSFLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-23-22-16(13-24-23)7-4-8-19(22)21-12-17-11-18(9-10-20(17)25-21)27-14-15-5-2-1-3-6-15/h1-12,25H,13-14H2,(H,24,26).
What are the key properties of 7-(5-phenylmethoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one?
7-(5-phenylmethoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 354.41 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-phenylmethoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 16666806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).