1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole

C16H17NO — CID 65042203

IUPAC1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole
SMILESCCOc1ccc(C2NCc3ccccc32)cc1
InChIInChI=1S/C16H17NO/c1-2-18-14-9-7-12(8-10-14)16-15-6-4-3-5-13(15)11-17-16/h3-10,16-17H,2,11H2,1H3
InChIKeyPCSTVJUMZUVLES-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.28
Rot. Bonds3

About 1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole

1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole (PubChem CID 65042203) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole
PubChem CID65042203
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole
SMILESCCOc1ccc(C2NCc3ccccc32)cc1
InChIInChI=1S/C16H17NO/c1-2-18-14-9-7-12(8-10-14)16-15-6-4-3-5-13(15)11-17-16/h3-10,16-17H,2,11H2,1H3
InChIKeyPCSTVJUMZUVLES-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole (CID 65042203) is 1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole is CCOc1ccc(C2NCc3ccccc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole?
The InChIKey is PCSTVJUMZUVLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-18-14-9-7-12(8-10-14)16-15-6-4-3-5-13(15)11-17-16/h3-10,16-17H,2,11H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole?
1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole has a molecular weight of 239.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 65042203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).