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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Related Compounds

(4S)-4-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
CID 92716447
disodium;5-(2,3-dihydro-1H-isoindol-1-yl)-2-[2-(4-ethoxy-2-sulfophenyl)ethenyl]benzenesulfonic acid;hydride
CID 173044476
(1R)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 672677
6-ethoxy-1-[4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 4690847
3-(4-ethoxyphenyl)piperazin-2-one
CID 62352288
1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole
CID 65447093
N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191383
(1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 672733
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole
CID 65046520
4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84737041
(1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole
CID 177219714
1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole
CID 82924962

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).