1,2-dimethoxy-4-(2-nitrophenoxy)benzene

C14H13NO5 — CID 11369382

IUPAC1,2-dimethoxy-4-(2-nitrophenoxy)benzene
SMILESCOc1ccc(Oc2ccccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C14H13NO5/c1-18-13-8-7-10(9-14(13)19-2)20-12-6-4-3-5-11(12)15(16)17/h3-9H,1-2H3
InChIKeyXBESSJGIVDHGOR-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.40
Rot. Bonds5

About 1,2-dimethoxy-4-(2-nitrophenoxy)benzene

1,2-dimethoxy-4-(2-nitrophenoxy)benzene (PubChem CID 11369382) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 1,2-dimethoxy-4-(2-nitrophenoxy)benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-(2-nitrophenoxy)benzene
PubChem CID11369382
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name1,2-dimethoxy-4-(2-nitrophenoxy)benzene
SMILESCOc1ccc(Oc2ccccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C14H13NO5/c1-18-13-8-7-10(9-14(13)19-2)20-12-6-4-3-5-11(12)15(16)17/h3-9H,1-2H3
InChIKeyXBESSJGIVDHGOR-UHFFFAOYSA-N
XLogP3.40
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.40
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'}

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Related Compounds

1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene
CID 141135704
4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 63672086
1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene
CID 10616047
(1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine
CID 103201771
(1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201808
3-(2-nitrophenoxy)aniline
CID 12638058
4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 131877853
1-(2-methoxyphenoxy)-4-methylsulfonyl-2-nitrobenzene
CID 66999029
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol
CID 163522418
3-(4-methoxy-2-nitrophenoxy)aniline
CID 54908684

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-(2-nitrophenoxy)benzene?
The IUPAC name of 1,2-dimethoxy-4-(2-nitrophenoxy)benzene (CID 11369382) is 1,2-dimethoxy-4-(2-nitrophenoxy)benzene.
What is the SMILES notation for 1,2-dimethoxy-4-(2-nitrophenoxy)benzene?
The canonical SMILES for 1,2-dimethoxy-4-(2-nitrophenoxy)benzene is COc1ccc(Oc2ccccc2[N+](=O)[O-])cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-(2-nitrophenoxy)benzene?
The InChIKey is XBESSJGIVDHGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-18-13-8-7-10(9-14(13)19-2)20-12-6-4-3-5-11(12)15(16)17/h3-9H,1-2H3.
What are the key properties of 1,2-dimethoxy-4-(2-nitrophenoxy)benzene?
1,2-dimethoxy-4-(2-nitrophenoxy)benzene has a molecular weight of 275.26 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-(2-nitrophenoxy)benzene is sourced from PubChem (CID 11369382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).