6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene

C10H10N2O6 — CID 3886309

IUPAC6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene
SMILESCOc1cc2c(c([N+](=O)[O-])c1[N+](=O)[O-])OCCC2
InChIInChI=1S/C10H10N2O6/c1-17-7-5-6-3-2-4-18-10(6)9(12(15)16)8(7)11(13)14/h5H,2-4H2,1H3
InChIKeyWGJIWDDOMKYWQO-UHFFFAOYSA-N
MW254.20 g/mol
LogP1.84
Rot. Bonds3

About 6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene

6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene (PubChem CID 3886309) has the molecular formula C10H10N2O6 and a molecular weight of 254.20 g/mol. Its IUPAC name is 6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene
PubChem CID3886309
Molecular FormulaC10H10N2O6
Molecular Weight254.20 g/mol
Exact Mass254.05
IUPAC Name6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene
SMILESCOc1cc2c(c([N+](=O)[O-])c1[N+](=O)[O-])OCCC2
InChIInChI=1S/C10H10N2O6/c1-17-7-5-6-3-2-4-18-10(6)9(12(15)16)8(7)11(13)14/h5H,2-4H2,1H3
InChIKeyWGJIWDDOMKYWQO-UHFFFAOYSA-N
XLogP1.84
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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CID 4653208
1,3,5-trimethoxy-2-nitrobenzene
CID 518903
(5-methoxy-4-nitro-3,3-dioxo-1,3lambda6-benzoxathiol-7-yl)-trimethylsilane
CID 14227369
10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene
CID 102455310
5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 22403480
5-bromo-6-methoxy-8-[(Z)-2-nitroprop-1-enyl]-3,4-dihydro-2H-chromene
CID 7605267
5-bromo-6-methoxy-8-(2-nitroprop-1-enyl)-3,4-dihydro-2H-chromene
CID 4021425
(1S)-7-methoxy-1-(4-nitrophenyl)-1,3,4,5-tetrahydro-2-benzoxepin-8-ol
CID 101436281
7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene
CID 10263473
(6-methoxy-3,4-dihydro-2H-chromen-7-yl)methanol
CID 10241724
5-methoxy-2,3-dihydrobenzo[g][1]benzofuran
CID 102108713
5-ethyl-7-methoxy-2,3-dihydro-1-benzofuran
CID 170265985

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene?
The IUPAC name of 6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene (CID 3886309) is 6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene is COc1cc2c(c([N+](=O)[O-])c1[N+](=O)[O-])OCCC2.
What is the InChIKey of 6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene?
The InChIKey is WGJIWDDOMKYWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O6/c1-17-7-5-6-3-2-4-18-10(6)9(12(15)16)8(7)11(13)14/h5H,2-4H2,1H3.
What are the key properties of 6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene?
6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene has a molecular weight of 254.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 3886309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).