(2-ethoxy-5-nitrophenyl)methanol

C9H11NO4 — CID 28963811

IUPAC(2-ethoxy-5-nitrophenyl)methanol
SMILESCCOc1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C9H11NO4/c1-2-14-9-4-3-8(10(12)13)5-7(9)6-11/h3-5,11H,2,6H2,1H3
InChIKeyJOOFPLFFIISCIY-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.49
Rot. Bonds4

About (2-ethoxy-5-nitrophenyl)methanol

(2-ethoxy-5-nitrophenyl)methanol (PubChem CID 28963811) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is (2-ethoxy-5-nitrophenyl)methanol.

Molecular Properties

Compound Name(2-ethoxy-5-nitrophenyl)methanol
PubChem CID28963811
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name(2-ethoxy-5-nitrophenyl)methanol
SMILESCCOc1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C9H11NO4/c1-2-14-9-4-3-8(10(12)13)5-7(9)6-11/h3-5,11H,2,6H2,1H3
InChIKeyJOOFPLFFIISCIY-UHFFFAOYSA-N
XLogP1.49
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxypropoxy)-5-nitrophenyl]methanol
CID 65175373
ethyl 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetate
CID 43472951
(2-ethoxy-5-nitrophenyl)methanamine
CID 43472563
2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 43472920
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide
CID 43472899
[2-(cyclobutylmethoxy)-5-nitrophenyl]methanol
CID 65458309
[2-[(3,5-dimethylphenyl)methoxy]-5-nitrophenyl]methanol
CID 61029024
4-[2-(hydroxymethyl)-4-nitrophenoxy]-2-methylbutan-2-ol
CID 79356216
[2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol
CID 43472911
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-propylacetamide
CID 43472891
3-[(2-ethoxy-5-nitrophenyl)methylamino]-2-methylbutan-1-ol
CID 111448495

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-5-nitrophenyl)methanol?
The IUPAC name of (2-ethoxy-5-nitrophenyl)methanol (CID 28963811) is (2-ethoxy-5-nitrophenyl)methanol.
What is the SMILES notation for (2-ethoxy-5-nitrophenyl)methanol?
The canonical SMILES for (2-ethoxy-5-nitrophenyl)methanol is CCOc1ccc([N+](=O)[O-])cc1CO.
What is the InChIKey of (2-ethoxy-5-nitrophenyl)methanol?
The InChIKey is JOOFPLFFIISCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-2-14-9-4-3-8(10(12)13)5-7(9)6-11/h3-5,11H,2,6H2,1H3.
What are the key properties of (2-ethoxy-5-nitrophenyl)methanol?
(2-ethoxy-5-nitrophenyl)methanol has a molecular weight of 197.19 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-5-nitrophenyl)methanol is sourced from PubChem (CID 28963811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).