7-nitro-2,3-dihydro-1-benzofuran

C8H7NO3 — CID 12805949

IUPAC7-nitro-2,3-dihydro-1-benzofuran
SMILESO=[N+]([O-])c1cccc2c1OCC2
InChIInChI=1S/C8H7NO3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2
InChIKeyUWGHHWCSTCOGRB-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.53
Rot. Bonds1

About 7-nitro-2,3-dihydro-1-benzofuran

7-nitro-2,3-dihydro-1-benzofuran (PubChem CID 12805949) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 7-nitro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-nitro-2,3-dihydro-1-benzofuran
PubChem CID12805949
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name7-nitro-2,3-dihydro-1-benzofuran
SMILESO=[N+]([O-])c1cccc2c1OCC2
InChIInChI=1S/C8H7NO3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2
InChIKeyUWGHHWCSTCOGRB-UHFFFAOYSA-N
XLogP1.53
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

1-Methoxy-4-methyl-2-nitrobenzene
CID 67058
2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine
CID 91697
2-Methyl-6-nitroanisole
CID 297001
Benzyl 2-nitrophenyl ether
CID 736266
2-Methyl-6-nitrophenyl acetate
CID 258438
2-Methoxy-1,5-dimethyl-3-nitrobenzene
CID 22164465
4-Methyl-1-(4-methylphenoxy)-2-nitrobenzene
CID 361284
2,3-Dihydro-2,2-dimethyl-7-nitrobenzofuran
CID 83416
2,3-Dihydro-1-benzofuran-7-amine
CID 12805950
7-Nitro-2,3-dihydro-1-benzofuran-5-sulfonoyl chloride
CID 18526153
1-(Bromomethyl)-2-methoxy-3-nitrobenzene
CID 18622077
(2-Methoxy-3-nitrophenyl)methanol
CID 18789679

Frequently Asked Questions

What is the IUPAC name of 7-nitro-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-nitro-2,3-dihydro-1-benzofuran (CID 12805949) is 7-nitro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-nitro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-nitro-2,3-dihydro-1-benzofuran is O=[N+]([O-])c1cccc2c1OCC2.
What is the InChIKey of 7-nitro-2,3-dihydro-1-benzofuran?
The InChIKey is UWGHHWCSTCOGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2.
What are the key properties of 7-nitro-2,3-dihydro-1-benzofuran?
7-nitro-2,3-dihydro-1-benzofuran has a molecular weight of 165.15 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 12805949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).