sodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone

C10H10NNaO6 — CID 155726894

IUPACsodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone
SMILESCOc1cc(CO[C-]=O)c([N+](=O)[O-])cc1OC.[Na+]
InChIInChI=1S/C10H10NO6.Na/c1-15-9-3-7(5-17-6-12)8(11(13)14)4-10(9)16-2;/h3-4H,5H2,1-2H3;/q-1;+1
InChIKeyVWJNDAYGWPRVRJ-UHFFFAOYSA-N
MW263.18 g/mol
LogP-1.80
Rot. Bonds6

About sodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone

sodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone (PubChem CID 155726894) has the molecular formula C10H10NNaO6 and a molecular weight of 263.18 g/mol. Its IUPAC name is sodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone.

Molecular Properties

Compound Namesodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone
PubChem CID155726894
Molecular FormulaC10H10NNaO6
Molecular Weight263.18 g/mol
Exact Mass263.04
IUPAC Namesodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone
SMILESCOc1cc(CO[C-]=O)c([N+](=O)[O-])cc1OC.[Na+]
InChIInChI=1S/C10H10NO6.Na/c1-15-9-3-7(5-17-6-12)8(11(13)14)4-10(9)16-2;/h3-4H,5H2,1-2H3;/q-1;+1
InChIKeyVWJNDAYGWPRVRJ-UHFFFAOYSA-N
XLogP-1.80
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 5-1.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane
CID 14108631
(4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate
CID 163219715
(4,5-dimethoxy-2-nitrophenyl)methyl carbamoperoxoate
CID 155576632
bis((4,5-dimethoxy-2-nitrophenyl)methyl propanoate);methane
CID 160819658
(2S)-2-amino-4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-4-oxobutanoic acid
CID 118912666
methyl (2S)-2-amino-3-[(4,5-dimethoxy-2-nitrophenyl)methoxy]propanoate
CID 135564323
(4,5-dimethoxy-2-nitrophenyl)methyl N-methylcarbamate;ethane
CID 170600738
3-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-3-methylbutan-2-one
CID 59707797
1-(4,5-dimethoxy-2-nitrophenyl)butan-2-one
CID 83008688
chloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate
CID 66825141
CID 150407142
CID 150407142
(4,5-dimethoxy-2-nitrophenyl)methoxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 70979475

Frequently Asked Questions

What is the IUPAC name of sodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone?
The IUPAC name of sodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone (CID 155726894) is sodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone.
What is the SMILES notation for sodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone?
The canonical SMILES for sodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone is COc1cc(CO[C-]=O)c([N+](=O)[O-])cc1OC.[Na+].
What is the InChIKey of sodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone?
The InChIKey is VWJNDAYGWPRVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NO6.Na/c1-15-9-3-7(5-17-6-12)8(11(13)14)4-10(9)16-2;/h3-4H,5H2,1-2H3;/q-1;+1.
What are the key properties of sodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone?
sodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone has a molecular weight of 263.18 g/mol, XLogP of -1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone is sourced from PubChem (CID 155726894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).