2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate

C12H12NO6- — CID 7476954

IUPAC2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate
SMILESCCOc1cccc(/C=C\[N+](=O)[O-])c1OCC(=O)[O-]
InChIInChI=1S/C12H13NO6/c1-2-18-10-5-3-4-9(6-7-13(16)17)12(10)19-8-11(14)15/h3-7H,2,8H2,1H3,(H,14,15)/p-1/b7-6-
InChIKeySCJKPSJOACENJS-SREVYHEPSA-M
MW266.23 g/mol
LogP0.46
Rot. Bonds7

About 2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate

2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate (PubChem CID 7476954) has the molecular formula C12H12NO6- and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate
PubChem CID7476954
Molecular FormulaC12H12NO6-
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Name2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate
SMILESCCOc1cccc(/C=C\[N+](=O)[O-])c1OCC(=O)[O-]
InChIInChI=1S/C12H13NO6/c1-2-18-10-5-3-4-9(6-7-13(16)17)12(10)19-8-11(14)15/h3-7H,2,8H2,1H3,(H,14,15)/p-1/b7-6-
InChIKeySCJKPSJOACENJS-SREVYHEPSA-M
XLogP0.46
TPSA101.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-ethoxy-6-(2-nitroethenyl)phenol
CID 2758749
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-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid
CID 169454343
2-(2-formyl-6-methoxyphenoxy)acetate
CID 6933847
2-[4-[(E)-3-[2-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]phenoxy]acetate
CID 9447772
2-[2-methoxy-6-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy]acetate
CID 7247781
2-[2-ethoxy-6-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 7341603
1-ethoxy-2-methoxy-3-[(Z)-2-nitrobut-1-enyl]benzene
CID 55016783
[2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate
CID 131862758
3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate?
The IUPAC name of 2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate (CID 7476954) is 2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate?
The canonical SMILES for 2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate is CCOc1cccc(/C=C\[N+](=O)[O-])c1OCC(=O)[O-].
What is the InChIKey of 2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate?
The InChIKey is SCJKPSJOACENJS-SREVYHEPSA-M. The full InChI is InChI=1S/C12H13NO6/c1-2-18-10-5-3-4-9(6-7-13(16)17)12(10)19-8-11(14)15/h3-7H,2,8H2,1H3,(H,14,15)/p-1/b7-6-.
What are the key properties of 2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate?
2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate has a molecular weight of 266.23 g/mol, XLogP of 0.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate is sourced from PubChem (CID 7476954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).