2-ethoxy-6-(2-nitroethenyl)phenol

C10H11NO4 — CID 2758749

IUPAC2-ethoxy-6-(2-nitroethenyl)phenol
SMILESCCOc1cccc(C=C[N+](=O)[O-])c1O
InChIInChI=1S/C10H11NO4/c1-2-15-9-5-3-4-8(10(9)12)6-7-11(13)14/h3-7,12H,2H2,1H3
InChIKeyIYDHELOQZJRCML-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.04
Rot. Bonds4

About 2-ethoxy-6-(2-nitroethenyl)phenol

2-ethoxy-6-(2-nitroethenyl)phenol (PubChem CID 2758749) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-ethoxy-6-(2-nitroethenyl)phenol.

Molecular Properties

Compound Name2-ethoxy-6-(2-nitroethenyl)phenol
PubChem CID2758749
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-ethoxy-6-(2-nitroethenyl)phenol
SMILESCCOc1cccc(C=C[N+](=O)[O-])c1O
InChIInChI=1S/C10H11NO4/c1-2-15-9-5-3-4-8(10(9)12)6-7-11(13)14/h3-7,12H,2H2,1H3
InChIKeyIYDHELOQZJRCML-UHFFFAOYSA-N
XLogP2.04
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.04
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-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate
CID 7476954
2-ethoxy-1-methoxy-3-[(Z)-2-nitroethenyl]benzene
CID 2060851
2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene
CID 896112
1-ethoxy-3-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 71624359
2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 4097319
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol
CID 2179477
1,2-bis(2-nitroethenyl)benzene
CID 154283712
1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one
CID 71821354
tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169468789
1-ethoxy-3-(2-nitroethenyl)benzene
CID 76912992
2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 139177834

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(2-nitroethenyl)phenol?
The IUPAC name of 2-ethoxy-6-(2-nitroethenyl)phenol (CID 2758749) is 2-ethoxy-6-(2-nitroethenyl)phenol.
What is the SMILES notation for 2-ethoxy-6-(2-nitroethenyl)phenol?
The canonical SMILES for 2-ethoxy-6-(2-nitroethenyl)phenol is CCOc1cccc(C=C[N+](=O)[O-])c1O.
What is the InChIKey of 2-ethoxy-6-(2-nitroethenyl)phenol?
The InChIKey is IYDHELOQZJRCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-2-15-9-5-3-4-8(10(9)12)6-7-11(13)14/h3-7,12H,2H2,1H3.
What are the key properties of 2-ethoxy-6-(2-nitroethenyl)phenol?
2-ethoxy-6-(2-nitroethenyl)phenol has a molecular weight of 209.20 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(2-nitroethenyl)phenol is sourced from PubChem (CID 2758749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).