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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Related Compounds

Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
1-(2-Methoxyphenyl)-4-(4-phenylbutyl)piperazine
CID 44276571
3-(4-ethoxybenzyl)-1,3-benzoxazol-2(3H)-one
CID 2989877
1-[3-(3,4-Dihydro-naphthalen-1-yl)-propyl]-4-(2-methoxy-phenyl)-piperazine
CID 10316605
1-(2,3-Dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
CID 833324
5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one
CID 851216
5-Methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
CID 851217
5-Methyl-3-[3-(2-methylphenoxy)propyl]-1,3-benzoxazol-2-one
CID 2130277
5-Methyl-3-(3-m-tolyloxy-propyl)-3H-benzooxazol-2-one
CID 2130278
5-methyl-3-(4-propoxybenzyl)benzo[d]oxazol-2(3H)-one
CID 2141780
3-[3-(3-methylphenoxy)propyl]-1,3-benzoxazol-2(3H)-one
CID 2147692
1-[(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
CID 10384067

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).