1-[4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone

C16H15NO — CID 839241

IUPAC1-[4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H15NO/c1-12(18)13-6-8-16(9-7-13)17-10-14-4-2-3-5-15(14)11-17/h2-9H,10-11H2,1H3
InChIKeyUODBUAYIIUXCEO-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.41
Rot. Bonds2

About 1-[4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone

1-[4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone (PubChem CID 839241) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone
PubChem CID839241
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-[4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H15NO/c1-12(18)13-6-8-16(9-7-13)17-10-14-4-2-3-5-15(14)11-17/h2-9H,10-11H2,1H3
InChIKeyUODBUAYIIUXCEO-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone (CID 839241) is 1-[4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone is CC(=O)c1ccc(N2Cc3ccccc3C2)cc1.
What is the InChIKey of 1-[4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone?
The InChIKey is UODBUAYIIUXCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-12(18)13-6-8-16(9-7-13)17-10-14-4-2-3-5-15(14)11-17/h2-9H,10-11H2,1H3.
What are the key properties of 1-[4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone?
1-[4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone has a molecular weight of 237.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-dihydroisoindol-2-yl)phenyl]ethanone is sourced from PubChem (CID 839241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).