(2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran

C9H9NO3 — CID 139074841

IUPAC(2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran
SMILESC[C@@H]1Cc2cccc([N+](=O)[O-])c2O1
InChIInChI=1S/C9H9NO3/c1-6-5-7-3-2-4-8(10(11)12)9(7)13-6/h2-4,6H,5H2,1H3/t6-/m1/s1
InChIKeyAJYJIYWUHNJEEY-ZCFIWIBFSA-N
MW179.17 g/mol
LogP1.92
Rot. Bonds1

About (2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran

(2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran (PubChem CID 139074841) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is (2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran
PubChem CID139074841
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name(2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran
SMILESC[C@@H]1Cc2cccc([N+](=O)[O-])c2O1
InChIInChI=1S/C9H9NO3/c1-6-5-7-3-2-4-8(10(11)12)9(7)13-6/h2-4,6H,5H2,1H3/t6-/m1/s1
InChIKeyAJYJIYWUHNJEEY-ZCFIWIBFSA-N
XLogP1.92
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.92
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'}

Analyze (2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methoxy-4-methyl-2-nitrobenzene
CID 67058
2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine
CID 91697
2-Nitrophenyl octyl ether
CID 169952
2-Methyl-6-nitroanisole
CID 297001
6-nitro-2-octyl-2H-chromene
CID 54581631
Benzyl 2-nitrophenyl ether
CID 736266
2-Methyl-6-nitrophenyl acetate
CID 258438
1-[(2-Methoxybenzyl)oxy]-2-nitro-4-(trifluoromethyl)benzene
CID 578176
2-Methoxy-1,5-dimethyl-3-nitrobenzene
CID 22164465
4-Methyl-1-(4-methylphenoxy)-2-nitrobenzene
CID 361284
O-(2-Methylallyloxy)nitrobenzene
CID 83415
2,3-Dihydro-2,2-dimethyl-7-nitrobenzofuran
CID 83416

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran?
The IUPAC name of (2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran (CID 139074841) is (2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran is C[C@@H]1Cc2cccc([N+](=O)[O-])c2O1.
What is the InChIKey of (2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran?
The InChIKey is AJYJIYWUHNJEEY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9NO3/c1-6-5-7-3-2-4-8(10(11)12)9(7)13-6/h2-4,6H,5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran?
(2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran has a molecular weight of 179.17 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-7-nitro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 139074841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).