2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile

C17H15NO2 — CID 81305874

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(Oc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H15NO2/c1-19-15-7-6-14(11-18)17(10-15)20-16-8-5-12-3-2-4-13(12)9-16/h5-10H,2-4H2,1H3
InChIKeyXKVLOYKOIIIUDN-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.85
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile

2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile (PubChem CID 81305874) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile
PubChem CID81305874
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(Oc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H15NO2/c1-19-15-7-6-14(11-18)17(10-15)20-16-8-5-12-3-2-4-13(12)9-16/h5-10H,2-4H2,1H3
InChIKeyXKVLOYKOIIIUDN-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-naphthalen-2-yloxybenzonitrile
CID 81297139
2-(3-iodophenoxy)-4-methoxybenzonitrile
CID 81305875
2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzenecarbothioamide
CID 81298509
4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile
CID 81305970
2-(4-ethylphenoxy)-4-methoxybenzonitrile
CID 81306042
2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile
CID 57402655
4-bromo-2-(3,5-dimethoxyphenoxy)benzonitrile
CID 23431864
2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile
CID 116864667
2-(2-amino-4-chlorophenoxy)-4-methoxybenzonitrile
CID 81302575
2-(2-amino-5-chlorophenoxy)-4-methoxybenzonitrile
CID 81302576
4-(4-aminophenoxy)-2-methoxybenzonitrile
CID 89154865
4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81306225

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile (CID 81305874) is 2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile is COc1ccc(C#N)c(Oc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile?
The InChIKey is XKVLOYKOIIIUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-19-15-7-6-14(11-18)17(10-15)20-16-8-5-12-3-2-4-13(12)9-16/h5-10H,2-4H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile?
2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile has a molecular weight of 265.31 g/mol, XLogP of 3.85, 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-5-yloxy)-4-methoxybenzonitrile is sourced from PubChem (CID 81305874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).