7,8-dimethoxy-3-nitro-2H-chromene

C11H11NO5 — CID 91620578

IUPAC7,8-dimethoxy-3-nitro-2H-chromene
SMILESCOc1ccc2c(c1OC)OCC([N+](=O)[O-])=C2
InChIInChI=1S/C11H11NO5/c1-15-9-4-3-7-5-8(12(13)14)6-17-10(7)11(9)16-2/h3-5H,6H2,1-2H3
InChIKeyMYPFMPWPUFTKNW-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.71
Rot. Bonds3

About 7,8-dimethoxy-3-nitro-2H-chromene

7,8-dimethoxy-3-nitro-2H-chromene (PubChem CID 91620578) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 7,8-dimethoxy-3-nitro-2H-chromene.

Molecular Properties

Compound Name7,8-dimethoxy-3-nitro-2H-chromene
PubChem CID91620578
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name7,8-dimethoxy-3-nitro-2H-chromene
SMILESCOc1ccc2c(c1OC)OCC([N+](=O)[O-])=C2
InChIInChI=1S/C11H11NO5/c1-15-9-4-3-7-5-8(12(13)14)6-17-10(7)11(9)16-2/h3-5H,6H2,1-2H3
InChIKeyMYPFMPWPUFTKNW-UHFFFAOYSA-N
XLogP1.71
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 7,8-dimethoxy-3-nitro-2H-chromene?
The IUPAC name of 7,8-dimethoxy-3-nitro-2H-chromene (CID 91620578) is 7,8-dimethoxy-3-nitro-2H-chromene.
What is the SMILES notation for 7,8-dimethoxy-3-nitro-2H-chromene?
The canonical SMILES for 7,8-dimethoxy-3-nitro-2H-chromene is COc1ccc2c(c1OC)OCC([N+](=O)[O-])=C2.
What is the InChIKey of 7,8-dimethoxy-3-nitro-2H-chromene?
The InChIKey is MYPFMPWPUFTKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-15-9-4-3-7-5-8(12(13)14)6-17-10(7)11(9)16-2/h3-5H,6H2,1-2H3.
What are the key properties of 7,8-dimethoxy-3-nitro-2H-chromene?
7,8-dimethoxy-3-nitro-2H-chromene has a molecular weight of 237.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-3-nitro-2H-chromene is sourced from PubChem (CID 91620578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).