[2-(2-fluoroethoxy)-5-nitrophenyl]methanol

C9H10FNO4 — CID 80695743

IUPAC[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(OCCF)c(CO)c1
InChIInChI=1S/C9H10FNO4/c10-3-4-15-9-2-1-8(11(13)14)5-7(9)6-12/h1-2,5,12H,3-4,6H2
InChIKeyBTRDNXPSZPLWFR-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.44
Rot. Bonds5

About [2-(2-fluoroethoxy)-5-nitrophenyl]methanol

[2-(2-fluoroethoxy)-5-nitrophenyl]methanol (PubChem CID 80695743) has the molecular formula C9H10FNO4 and a molecular weight of 215.18 g/mol. Its IUPAC name is [2-(2-fluoroethoxy)-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
PubChem CID80695743
Molecular FormulaC9H10FNO4
Molecular Weight215.18 g/mol
Exact Mass215.06
IUPAC Name[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(OCCF)c(CO)c1
InChIInChI=1S/C9H10FNO4/c10-3-4-15-9-2-1-8(11(13)14)5-7(9)6-12/h1-2,5,12H,3-4,6H2
InChIKeyBTRDNXPSZPLWFR-UHFFFAOYSA-N
XLogP1.44
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.44
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

[5-nitro-2-(3,3,3-trifluoropropoxy)phenyl]methanol
CID 64564855
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
[2-(3-ethoxypropoxy)-5-nitrophenyl]methanol
CID 65175373
4-[2-(hydroxymethyl)-4-nitrophenoxy]-2-methylbutan-2-ol
CID 79356216
2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 43472920
[2-[2-(3-methylbutoxy)ethoxy]-5-nitrophenyl]methanol
CID 61484381
[5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 43472931
5-[2-(hydroxymethyl)-4-nitrophenoxy]-2,2-dimethylpentanenitrile
CID 65255458
2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
CID 593462
(1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol
CID 104890135
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide
CID 43472899
[2-(cyclobutylmethoxy)-5-nitrophenyl]methanol
CID 65458309

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroethoxy)-5-nitrophenyl]methanol?
The IUPAC name of [2-(2-fluoroethoxy)-5-nitrophenyl]methanol (CID 80695743) is [2-(2-fluoroethoxy)-5-nitrophenyl]methanol.
What is the SMILES notation for [2-(2-fluoroethoxy)-5-nitrophenyl]methanol?
The canonical SMILES for [2-(2-fluoroethoxy)-5-nitrophenyl]methanol is O=[N+]([O-])c1ccc(OCCF)c(CO)c1.
What is the InChIKey of [2-(2-fluoroethoxy)-5-nitrophenyl]methanol?
The InChIKey is BTRDNXPSZPLWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4/c10-3-4-15-9-2-1-8(11(13)14)5-7(9)6-12/h1-2,5,12H,3-4,6H2.
What are the key properties of [2-(2-fluoroethoxy)-5-nitrophenyl]methanol?
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol has a molecular weight of 215.18 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroethoxy)-5-nitrophenyl]methanol is sourced from PubChem (CID 80695743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).