2-ethoxy-6-nitro-3,4-dihydro-2H-chromene

C11H13NO4 — CID 11253060

IUPAC2-ethoxy-6-nitro-3,4-dihydro-2H-chromene
SMILESCCOC1CCc2cc([N+](=O)[O-])ccc2O1
InChIInChI=1S/C11H13NO4/c1-2-15-11-6-3-8-7-9(12(13)14)4-5-10(8)16-11/h4-5,7,11H,2-3,6H2,1H3
InChIKeyMHPMTTCDJZRLFF-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.28
Rot. Bonds3

About 2-ethoxy-6-nitro-3,4-dihydro-2H-chromene

2-ethoxy-6-nitro-3,4-dihydro-2H-chromene (PubChem CID 11253060) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-ethoxy-6-nitro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-ethoxy-6-nitro-3,4-dihydro-2H-chromene
PubChem CID11253060
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-ethoxy-6-nitro-3,4-dihydro-2H-chromene
SMILESCCOC1CCc2cc([N+](=O)[O-])ccc2O1
InChIInChI=1S/C11H13NO4/c1-2-15-11-6-3-8-7-9(12(13)14)4-5-10(8)16-11/h4-5,7,11H,2-3,6H2,1H3
InChIKeyMHPMTTCDJZRLFF-UHFFFAOYSA-N
XLogP2.28
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
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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Related Compounds

2-ethyl-6-nitro-3,4-dihydro-2H-chromene
CID 118021532
2-ethoxy-6-methyl-5-nitro-3,4-dihydro-2H-pyran
CID 101486780
2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene
CID 174756922
ethane;2-methyl-6-nitro-4H-chromen-3-one
CID 142100004
methyl 5-nitro-2,3-dihydro-1-benzofuran-2-carboxylate
CID 14468425
5-nitro-2,3-dihydro-1-benzofuran-2-carbaldehyde
CID 88894337
1-(3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-2-one
CID 147447965
3-methyl-8-nitro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 10242083
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CID 66694887
methyl 2-[cyclopropyl-(3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)amino]acetate
CID 168876708
2-[2-(6-nitro-3,4-dihydro-2H-chromen-2-yl)ethylamino]-1-pyridin-3-ylethanol
CID 142182127
2-cyclopropyloxy-1-ethyl-4-nitrobenzene
CID 59026367

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-nitro-3,4-dihydro-2H-chromene?
The IUPAC name of 2-ethoxy-6-nitro-3,4-dihydro-2H-chromene (CID 11253060) is 2-ethoxy-6-nitro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-ethoxy-6-nitro-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-ethoxy-6-nitro-3,4-dihydro-2H-chromene is CCOC1CCc2cc([N+](=O)[O-])ccc2O1.
What is the InChIKey of 2-ethoxy-6-nitro-3,4-dihydro-2H-chromene?
The InChIKey is MHPMTTCDJZRLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-2-15-11-6-3-8-7-9(12(13)14)4-5-10(8)16-11/h4-5,7,11H,2-3,6H2,1H3.
What are the key properties of 2-ethoxy-6-nitro-3,4-dihydro-2H-chromene?
2-ethoxy-6-nitro-3,4-dihydro-2H-chromene has a molecular weight of 223.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-nitro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 11253060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).