2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid

C10H11NO6 — CID 131861616

IUPAC2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid
SMILESCCOc1ccc([N+](=O)[O-])cc1C(O)C(=O)O
InChIInChI=1S/C10H11NO6/c1-2-17-8-4-3-6(11(15)16)5-7(8)9(12)10(13)14/h3-5,9,12H,2H2,1H3,(H,13,14)
InChIKeyIMEOIRRTENVDDV-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.11
Rot. Bonds5

About 2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid

2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid (PubChem CID 131861616) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid
PubChem CID131861616
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Name2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid
SMILESCCOc1ccc([N+](=O)[O-])cc1C(O)C(=O)O
InChIInChI=1S/C10H11NO6/c1-2-17-8-4-3-6(11(15)16)5-7(8)9(12)10(13)14/h3-5,9,12H,2H2,1H3,(H,13,14)
InChIKeyIMEOIRRTENVDDV-UHFFFAOYSA-N
XLogP1.11
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.11
H-Bond Donors ≤ 52
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

1-(2-ethoxy-5-nitrophenyl)ethanol
CID 116541848
ethyl 3-(2-ethoxy-5-nitrophenyl)-2,3-dihydroxypropanoate
CID 171867034
2-hydroxy-2-[5-nitro-2-(2-oxopropyl)phenyl]acetic acid
CID 134657937
2-hydroxy-2-(4-nitro-2-propanoylphenyl)acetic acid
CID 134657907
(2S)-2-(2-chloro-5-nitrophenyl)-2-hydroxyacetic acid
CID 131292262
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
2-(2,4-dinitrophenyl)-2-hydroxyacetic acid
CID 166610284
N-ethyl-2-[2-[(1S)-1-hydroxyethyl]-4-nitrophenoxy]acetamide
CID 104890441
1-(2-methoxy-5-nitrophenyl)propan-1-amine
CID 43825597
tert-butyl N-[4-(2-ethoxy-5-nitrophenyl)-3,4-dihydroxybutyl]carbamate
CID 171885777
(1S)-1-(5-nitro-2-prop-2-enoxyphenyl)ethanol
CID 104890248
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]acetonitrile
CID 116542044

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid (CID 131861616) is 2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid is CCOc1ccc([N+](=O)[O-])cc1C(O)C(=O)O.
What is the InChIKey of 2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid?
The InChIKey is IMEOIRRTENVDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6/c1-2-17-8-4-3-6(11(15)16)5-7(8)9(12)10(13)14/h3-5,9,12H,2H2,1H3,(H,13,14).
What are the key properties of 2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid?
2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid has a molecular weight of 241.20 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 131861616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).