(7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol

C9H9NO4 — CID 11063317

IUPAC(7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol
SMILESO=[N+]([O-])c1cccc2c1OC(CO)C2
InChIInChI=1S/C9H9NO4/c11-5-7-4-6-2-1-3-8(10(12)13)9(6)14-7/h1-3,7,11H,4-5H2
InChIKeyMRIPHPFOIYYHPH-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.89
Rot. Bonds2

About (7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol

(7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol (PubChem CID 11063317) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is (7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol
PubChem CID11063317
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name(7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol
SMILESO=[N+]([O-])c1cccc2c1OC(CO)C2
InChIInChI=1S/C9H9NO4/c11-5-7-4-6-2-1-3-8(10(12)13)9(6)14-7/h1-3,7,11H,4-5H2
InChIKeyMRIPHPFOIYYHPH-UHFFFAOYSA-N
XLogP0.89
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
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 (7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol?
The IUPAC name of (7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol (CID 11063317) is (7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol is O=[N+]([O-])c1cccc2c1OC(CO)C2.
What is the InChIKey of (7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol?
The InChIKey is MRIPHPFOIYYHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c11-5-7-4-6-2-1-3-8(10(12)13)9(6)14-7/h1-3,7,11H,4-5H2.
What are the key properties of (7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol?
(7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol has a molecular weight of 195.17 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 11063317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).