2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan

C19H15NO4 — CID 168526840

IUPAC2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan
SMILESO=[N+]([O-])c1cc(Oc2ccc3c(c2)CCC3)cc(-c2ccco2)c1
InChIInChI=1S/C19H15NO4/c21-20(22)16-9-15(19-5-2-8-23-19)11-18(12-16)24-17-7-6-13-3-1-4-14(13)10-17/h2,5-12H,1,3-4H2
InChIKeyNJNIUPQGNAMOHZ-UHFFFAOYSA-N
MW321.33 g/mol
LogP5.14
Rot. Bonds4

About 2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan

2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan (PubChem CID 168526840) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan
PubChem CID168526840
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan
SMILESO=[N+]([O-])c1cc(Oc2ccc3c(c2)CCC3)cc(-c2ccco2)c1
InChIInChI=1S/C19H15NO4/c21-20(22)16-9-15(19-5-2-8-23-19)11-18(12-16)24-17-7-6-13-3-1-4-14(13)10-17/h2,5-12H,1,3-4H2
InChIKeyNJNIUPQGNAMOHZ-UHFFFAOYSA-N
XLogP5.14
TPSA65.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.33
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan?
The IUPAC name of 2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan (CID 168526840) is 2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan.
What is the SMILES notation for 2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan?
The canonical SMILES for 2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan is O=[N+]([O-])c1cc(Oc2ccc3c(c2)CCC3)cc(-c2ccco2)c1.
What is the InChIKey of 2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan?
The InChIKey is NJNIUPQGNAMOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c21-20(22)16-9-15(19-5-2-8-23-19)11-18(12-16)24-17-7-6-13-3-1-4-14(13)10-17/h2,5-12H,1,3-4H2.
What are the key properties of 2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan?
2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan has a molecular weight of 321.33 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan is sourced from PubChem (CID 168526840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).