2-(2,3-dihydro-1H-inden-1-yloxy)-3-methoxybenzonitrile

C17H15NO2 — CID 117052936

IUPAC2-(2,3-dihydro-1H-inden-1-yloxy)-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1OC1CCc2ccccc21
InChIInChI=1S/C17H15NO2/c1-19-16-8-4-6-13(11-18)17(16)20-15-10-9-12-5-2-3-7-14(12)15/h2-8,15H,9-10H2,1H3
InChIKeyMTNYQGBLKKEZPI-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.63
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-1-yloxy)-3-methoxybenzonitrile

2-(2,3-dihydro-1H-inden-1-yloxy)-3-methoxybenzonitrile (PubChem CID 117052936) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yloxy)-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yloxy)-3-methoxybenzonitrile
PubChem CID117052936
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-(2,3-dihydro-1H-inden-1-yloxy)-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1OC1CCc2ccccc21
InChIInChI=1S/C17H15NO2/c1-19-16-8-4-6-13(11-18)17(16)20-15-10-9-12-5-2-3-7-14(12)15/h2-8,15H,9-10H2,1H3
InChIKeyMTNYQGBLKKEZPI-UHFFFAOYSA-N
XLogP3.63
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyloxy-3-methoxybenzonitrile
CID 117309455
3-methoxy-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile
CID 117052872
3-methoxy-2-(oxan-4-yloxy)benzonitrile
CID 117338061
1-(2-methylphenoxy)-2,3-dihydro-1H-indene
CID 57123599
3-methoxy-2-(thian-3-yloxy)benzonitrile
CID 117376744
2-bromo-3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
CID 107534235
3,5-difluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
CID 81287430
(1R,2S)-2-bromo-1-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 134940287
1,7-dimethoxy-2,3-dihydro-1H-indene
CID 139893728
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181895
3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
CID 102817746
(1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 10848491

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yloxy)-3-methoxybenzonitrile?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yloxy)-3-methoxybenzonitrile (CID 117052936) is 2-(2,3-dihydro-1H-inden-1-yloxy)-3-methoxybenzonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yloxy)-3-methoxybenzonitrile?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yloxy)-3-methoxybenzonitrile is COc1cccc(C#N)c1OC1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yloxy)-3-methoxybenzonitrile?
The InChIKey is MTNYQGBLKKEZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-19-16-8-4-6-13(11-18)17(16)20-15-10-9-12-5-2-3-7-14(12)15/h2-8,15H,9-10H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yloxy)-3-methoxybenzonitrile?
2-(2,3-dihydro-1H-inden-1-yloxy)-3-methoxybenzonitrile has a molecular weight of 265.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yloxy)-3-methoxybenzonitrile is sourced from PubChem (CID 117052936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).