3-(2-methoxy-5-nitrophenoxy)propanal

C10H11NO5 — CID 63038722

IUPAC3-(2-methoxy-5-nitrophenoxy)propanal
SMILESCOc1ccc([N+](=O)[O-])cc1OCCC=O
InChIInChI=1S/C10H11NO5/c1-15-9-4-3-8(11(13)14)7-10(9)16-6-2-5-12/h3-5,7H,2,6H2,1H3
InChIKeyQDWGGUFBUCZATB-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.57
Rot. Bonds6

About 3-(2-methoxy-5-nitrophenoxy)propanal

3-(2-methoxy-5-nitrophenoxy)propanal (PubChem CID 63038722) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-(2-methoxy-5-nitrophenoxy)propanal.

Molecular Properties

Compound Name3-(2-methoxy-5-nitrophenoxy)propanal
PubChem CID63038722
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name3-(2-methoxy-5-nitrophenoxy)propanal
SMILESCOc1ccc([N+](=O)[O-])cc1OCCC=O
InChIInChI=1S/C10H11NO5/c1-15-9-4-3-8(11(13)14)7-10(9)16-6-2-5-12/h3-5,7H,2,6H2,1H3
InChIKeyQDWGGUFBUCZATB-UHFFFAOYSA-N
XLogP1.57
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
3-(2-fluoro-4-nitrophenoxy)propanal
CID 63039286
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine
CID 61386073
2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene
CID 61397125
2-(2-methoxy-5-nitrophenoxy)acetonitrile
CID 8946731
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
2-(3,3-diethoxypropoxy)-1-methoxy-4-nitrobenzene
CID 63629477
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
4-(2-methoxy-5-nitrophenoxy)-2,2-dimethylbutanoic acid
CID 65248150
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]azetidine
CID 107391611
1,2-bis(2-methoxyethoxy)-4-nitrobenzene;carbamic acid
CID 175523332

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-nitrophenoxy)propanal?
The IUPAC name of 3-(2-methoxy-5-nitrophenoxy)propanal (CID 63038722) is 3-(2-methoxy-5-nitrophenoxy)propanal.
What is the SMILES notation for 3-(2-methoxy-5-nitrophenoxy)propanal?
The canonical SMILES for 3-(2-methoxy-5-nitrophenoxy)propanal is COc1ccc([N+](=O)[O-])cc1OCCC=O.
What is the InChIKey of 3-(2-methoxy-5-nitrophenoxy)propanal?
The InChIKey is QDWGGUFBUCZATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-15-9-4-3-8(11(13)14)7-10(9)16-6-2-5-12/h3-5,7H,2,6H2,1H3.
What are the key properties of 3-(2-methoxy-5-nitrophenoxy)propanal?
3-(2-methoxy-5-nitrophenoxy)propanal has a molecular weight of 225.20 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-nitrophenoxy)propanal is sourced from PubChem (CID 63038722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).