1-(2-ethoxy-5-nitrophenyl)ethanol

C10H13NO4 — CID 116541848

IUPAC1-(2-ethoxy-5-nitrophenyl)ethanol
SMILESCCOc1ccc([N+](=O)[O-])cc1C(C)O
InChIInChI=1S/C10H13NO4/c1-3-15-10-5-4-8(11(13)14)6-9(10)7(2)12/h4-7,12H,3H2,1-2H3
InChIKeyKBEBAIZLCZVVTK-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.05
Rot. Bonds4

About 1-(2-ethoxy-5-nitrophenyl)ethanol

1-(2-ethoxy-5-nitrophenyl)ethanol (PubChem CID 116541848) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(2-ethoxy-5-nitrophenyl)ethanol.

Molecular Properties

Compound Name1-(2-ethoxy-5-nitrophenyl)ethanol
PubChem CID116541848
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name1-(2-ethoxy-5-nitrophenyl)ethanol
SMILESCCOc1ccc([N+](=O)[O-])cc1C(C)O
InChIInChI=1S/C10H13NO4/c1-3-15-10-5-4-8(11(13)14)6-9(10)7(2)12/h4-7,12H,3H2,1-2H3
InChIKeyKBEBAIZLCZVVTK-UHFFFAOYSA-N
XLogP2.05
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.05
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-[2-(1-hydroxyethyl)-4-nitrophenoxy]acetonitrile
CID 116542044
(1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol
CID 104890135
(1S)-1-(5-nitro-2-prop-2-enoxyphenyl)ethanol
CID 104890248
2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid
CID 131861616
N-ethyl-2-[2-[(1S)-1-hydroxyethyl]-4-nitrophenoxy]acetamide
CID 104890441
(1S)-1-[2-(3-methylbut-3-enoxy)-5-nitrophenyl]ethanol
CID 104929606
3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
CID 104890078
(1S)-1-(5-nitro-2-pent-4-ynoxyphenyl)ethanol
CID 104890437
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide
CID 116541811
(1R)-1-[5-nitro-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol
CID 106726363
ethyl 3-(2-ethoxy-5-nitrophenyl)-2,3-dihydroxypropanoate
CID 171867034
3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]butan-2-ol
CID 104890180

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-nitrophenyl)ethanol?
The IUPAC name of 1-(2-ethoxy-5-nitrophenyl)ethanol (CID 116541848) is 1-(2-ethoxy-5-nitrophenyl)ethanol.
What is the SMILES notation for 1-(2-ethoxy-5-nitrophenyl)ethanol?
The canonical SMILES for 1-(2-ethoxy-5-nitrophenyl)ethanol is CCOc1ccc([N+](=O)[O-])cc1C(C)O.
What is the InChIKey of 1-(2-ethoxy-5-nitrophenyl)ethanol?
The InChIKey is KBEBAIZLCZVVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-3-15-10-5-4-8(11(13)14)6-9(10)7(2)12/h4-7,12H,3H2,1-2H3.
What are the key properties of 1-(2-ethoxy-5-nitrophenyl)ethanol?
1-(2-ethoxy-5-nitrophenyl)ethanol has a molecular weight of 211.22 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-nitrophenyl)ethanol is sourced from PubChem (CID 116541848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).