6,7-dimethoxy-3-nitro-2H-chromene

C11H11NO5 — CID 14568086

IUPAC6,7-dimethoxy-3-nitro-2H-chromene
SMILESCOc1cc2c(cc1OC)OCC([N+](=O)[O-])=C2
InChIInChI=1S/C11H11NO5/c1-15-10-4-7-3-8(12(13)14)6-17-9(7)5-11(10)16-2/h3-5H,6H2,1-2H3
InChIKeyNXGFJMDDTUXHDK-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.71
Rot. Bonds3

About 6,7-dimethoxy-3-nitro-2H-chromene

6,7-dimethoxy-3-nitro-2H-chromene (PubChem CID 14568086) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 6,7-dimethoxy-3-nitro-2H-chromene.

Molecular Properties

Compound Name6,7-dimethoxy-3-nitro-2H-chromene
PubChem CID14568086
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name6,7-dimethoxy-3-nitro-2H-chromene
SMILESCOc1cc2c(cc1OC)OCC([N+](=O)[O-])=C2
InChIInChI=1S/C11H11NO5/c1-15-10-4-7-3-8(12(13)14)6-17-9(7)5-11(10)16-2/h3-5H,6H2,1-2H3
InChIKeyNXGFJMDDTUXHDK-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'}

Analyze 6,7-dimethoxy-3-nitro-2H-chromene 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

5-methoxy-3-nitro-2H-chromene
CID 13266325
7,8-dimethoxy-3-nitro-2H-chromene
CID 91620578
(6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 59838307
(6,7-dimethoxy-2H-chromen-3-yl)-(5-methoxy-2,2-dimethyl-7-nitrochromen-6-yl)methanone;4-(3,4-dimethoxyphenoxy)-1-(5-methoxy-2,2-dimethyl-7-nitrochromen-6-yl)but-2-yn-1-one
CID 159446032
(1S)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916121
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916122
1,3,5-trimethoxy-2-nitrobenzene
CID 518903
4-methoxy-2-nitro-5-(oxolan-3-yloxy)benzamide
CID 167227558
2-amino-2-(4,5-dimethoxy-2-nitrophenyl)acetic acid
CID 53419103
2-[(4,5-dimethoxy-2-nitrobenzoyl)-methylamino]acetic acid
CID 43234989
5-methoxy-2-nitro-4-(oxan-4-yloxy)benzoic acid
CID 63937650
1-(4,5-dimethoxy-2-nitrophenyl)-2-(dimethylamino)ethanone
CID 170896249

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-nitro-2H-chromene?
The IUPAC name of 6,7-dimethoxy-3-nitro-2H-chromene (CID 14568086) is 6,7-dimethoxy-3-nitro-2H-chromene.
What is the SMILES notation for 6,7-dimethoxy-3-nitro-2H-chromene?
The canonical SMILES for 6,7-dimethoxy-3-nitro-2H-chromene is COc1cc2c(cc1OC)OCC([N+](=O)[O-])=C2.
What is the InChIKey of 6,7-dimethoxy-3-nitro-2H-chromene?
The InChIKey is NXGFJMDDTUXHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-15-10-4-7-3-8(12(13)14)6-17-9(7)5-11(10)16-2/h3-5H,6H2,1-2H3.
What are the key properties of 6,7-dimethoxy-3-nitro-2H-chromene?
6,7-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 6,7-dimethoxy-3-nitro-2H-chromene is sourced from PubChem (CID 14568086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).