1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone

C14H11NO6 — CID 886419

IUPAC1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1O
InChIInChI=1S/C14H11NO6/c16-10-3-6-12(13(17)7-10)14(18)8-21-11-4-1-9(2-5-11)15(19)20/h1-7,16-17H,8H2
InChIKeyLXRDYFUDWUKCMP-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.27
Rot. Bonds5

About 1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone

1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone (PubChem CID 886419) has the molecular formula C14H11NO6 and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone
PubChem CID886419
Molecular FormulaC14H11NO6
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1O
InChIInChI=1S/C14H11NO6/c16-10-3-6-12(13(17)7-10)14(18)8-21-11-4-1-9(2-5-11)15(19)20/h1-7,16-17H,8H2
InChIKeyLXRDYFUDWUKCMP-UHFFFAOYSA-N
XLogP2.27
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.27
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone (CID 886419) is 1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone is O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone?
The InChIKey is LXRDYFUDWUKCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO6/c16-10-3-6-12(13(17)7-10)14(18)8-21-11-4-1-9(2-5-11)15(19)20/h1-7,16-17H,8H2.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone?
1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone has a molecular weight of 289.24 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone is sourced from PubChem (CID 886419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).