(4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate

C11H13NO7 — CID 163219715

IUPAC(4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate
SMILESCOC(=O)OCc1cc(OC)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13NO7/c1-16-9-4-7(6-19-11(13)18-3)8(12(14)15)5-10(9)17-2/h4-5H,6H2,1-3H3
InChIKeyDYVXCAOJZRDHAT-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.89
Rot. Bonds5

About (4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate

(4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate (PubChem CID 163219715) has the molecular formula C11H13NO7 and a molecular weight of 271.23 g/mol. Its IUPAC name is (4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate.

Molecular Properties

Compound Name(4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate
PubChem CID163219715
Molecular FormulaC11H13NO7
Molecular Weight271.23 g/mol
Exact Mass271.07
IUPAC Name(4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate
SMILESCOC(=O)OCc1cc(OC)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13NO7/c1-16-9-4-7(6-19-11(13)18-3)8(12(14)15)5-10(9)17-2/h4-5H,6H2,1-3H3
InChIKeyDYVXCAOJZRDHAT-UHFFFAOYSA-N
XLogP1.89
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

(4,5-dimethoxy-2-nitrophenyl)methyl N-methylcarbamate;ethane
CID 170600738
(4,5-dimethoxy-2-nitrophenyl)methyl 2-methylbutan-2-yl carbonate
CID 170387678
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 carbamoperoxoate
CID 155576632
ethyl 2-[[4,5-bis(hydroxymethyl)-2-nitrophenyl]methoxycarbonyloxy]-2-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonyloxy]acetate
CID 126681123
3-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-3-methylbutan-2-one
CID 59707797
(4,5-dimethoxy-2-nitrophenyl)methyl (4-nitro-2-phenylphenyl) carbonate
CID 140565227
(4,5-dimethoxy-2-nitrophenyl)methyl N,N-dicyclohexylcarbamate
CID 67004053
1-(4,5-dimethoxy-2-nitrophenyl)butan-2-one
CID 83008688
(5-methoxy-4-methyl-2-nitrophenyl)methyl propanoate
CID 59710826

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate?
The IUPAC name of (4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate (CID 163219715) is (4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate.
What is the SMILES notation for (4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate?
The canonical SMILES for (4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate is COC(=O)OCc1cc(OC)c(OC)cc1[N+](=O)[O-].
What is the InChIKey of (4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate?
The InChIKey is DYVXCAOJZRDHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO7/c1-16-9-4-7(6-19-11(13)18-3)8(12(14)15)5-10(9)17-2/h4-5H,6H2,1-3H3.
What are the key properties of (4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate?
(4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate has a molecular weight of 271.23 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate is sourced from PubChem (CID 163219715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).