2-(2-ethoxyphenyl)-1,3-dihydroisoindole

C16H17NO — CID 2056467

IUPAC2-(2-ethoxyphenyl)-1,3-dihydroisoindole
SMILESCCOc1ccccc1N1Cc2ccccc2C1
InChIInChI=1S/C16H17NO/c1-2-18-16-10-6-5-9-15(16)17-11-13-7-3-4-8-14(13)12-17/h3-10H,2,11-12H2,1H3
InChIKeyZHSFHLPWINXFLO-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.61
Rot. Bonds3

About 2-(2-ethoxyphenyl)-1,3-dihydroisoindole

2-(2-ethoxyphenyl)-1,3-dihydroisoindole (PubChem CID 2056467) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-1,3-dihydroisoindole
PubChem CID2056467
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-(2-ethoxyphenyl)-1,3-dihydroisoindole
SMILESCCOc1ccccc1N1Cc2ccccc2C1
InChIInChI=1S/C16H17NO/c1-2-18-16-10-6-5-9-15(16)17-11-13-7-3-4-8-14(13)12-17/h3-10H,2,11-12H2,1H3
InChIKeyZHSFHLPWINXFLO-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(2-ethoxyphenyl)-1,3-dihydroisoindole (CID 2056467) is 2-(2-ethoxyphenyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(2-ethoxyphenyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(2-ethoxyphenyl)-1,3-dihydroisoindole is CCOc1ccccc1N1Cc2ccccc2C1.
What is the InChIKey of 2-(2-ethoxyphenyl)-1,3-dihydroisoindole?
The InChIKey is ZHSFHLPWINXFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-18-16-10-6-5-9-15(16)17-11-13-7-3-4-8-14(13)12-17/h3-10H,2,11-12H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-1,3-dihydroisoindole?
2-(2-ethoxyphenyl)-1,3-dihydroisoindole has a molecular weight of 239.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-1,3-dihydroisoindole is sourced from PubChem (CID 2056467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).