2-(3-methoxy-4-nitrophenoxy)ethanol

C9H11NO5 — CID 66759614

IUPAC2-(3-methoxy-4-nitrophenoxy)ethanol
SMILESCOc1cc(OCCO)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11NO5/c1-14-9-6-7(15-5-4-11)2-3-8(9)10(12)13/h2-3,6,11H,4-5H2,1H3
InChIKeyFFHJYIOHGROPEU-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.97
Rot. Bonds5

About 2-(3-methoxy-4-nitrophenoxy)ethanol

2-(3-methoxy-4-nitrophenoxy)ethanol (PubChem CID 66759614) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitrophenoxy)ethanol.

Molecular Properties

Compound Name2-(3-methoxy-4-nitrophenoxy)ethanol
PubChem CID66759614
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name2-(3-methoxy-4-nitrophenoxy)ethanol
SMILESCOc1cc(OCCO)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11NO5/c1-14-9-6-7(15-5-4-11)2-3-8(9)10(12)13/h2-3,6,11H,4-5H2,1H3
InChIKeyFFHJYIOHGROPEU-UHFFFAOYSA-N
XLogP0.97
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
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

2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219
2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene
CID 118410599
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 119225842
1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one
CID 58748572
2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene
CID 102702616
4-[3-[2-[2-[2-(3-methoxy-4-nitrophenoxy)ethoxy]ethoxy]ethoxy]propyl]benzenesulfonic acid
CID 170347794
2-[2-[2-[2-(3-methoxy-4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 170335133
3-(5-methoxy-2-nitrophenoxy)propanoic acid
CID 102702530
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-2-methylpropanoic acid
CID 119187912
2-methoxy-1-nitro-4-(trifluoromethoxy)benzene
CID 53417127
1-[3-(3-methoxy-4-nitrophenoxy)propyl]-3-methylpyrrolidine
CID 146453469
2-(5-methoxy-2-nitrophenoxy)acetic acid
CID 91683018

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitrophenoxy)ethanol?
The IUPAC name of 2-(3-methoxy-4-nitrophenoxy)ethanol (CID 66759614) is 2-(3-methoxy-4-nitrophenoxy)ethanol.
What is the SMILES notation for 2-(3-methoxy-4-nitrophenoxy)ethanol?
The canonical SMILES for 2-(3-methoxy-4-nitrophenoxy)ethanol is COc1cc(OCCO)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methoxy-4-nitrophenoxy)ethanol?
The InChIKey is FFHJYIOHGROPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-14-9-6-7(15-5-4-11)2-3-8(9)10(12)13/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 2-(3-methoxy-4-nitrophenoxy)ethanol?
2-(3-methoxy-4-nitrophenoxy)ethanol has a molecular weight of 213.19 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitrophenoxy)ethanol is sourced from PubChem (CID 66759614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).