5-ethyl-2-(2-nitrophenoxy)phenol

C14H13NO4 — CID 126961634

IUPAC5-ethyl-2-(2-nitrophenoxy)phenol
SMILESCCc1ccc(Oc2ccccc2[N+](=O)[O-])c(O)c1
InChIInChI=1S/C14H13NO4/c1-2-10-7-8-14(12(16)9-10)19-13-6-4-3-5-11(13)15(17)18/h3-9,16H,2H2,1H3
InChIKeyUYKLSKNNSFJOCF-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.66
Rot. Bonds4

About 5-ethyl-2-(2-nitrophenoxy)phenol

5-ethyl-2-(2-nitrophenoxy)phenol (PubChem CID 126961634) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-ethyl-2-(2-nitrophenoxy)phenol.

Molecular Properties

Compound Name5-ethyl-2-(2-nitrophenoxy)phenol
PubChem CID126961634
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name5-ethyl-2-(2-nitrophenoxy)phenol
SMILESCCc1ccc(Oc2ccccc2[N+](=O)[O-])c(O)c1
InChIInChI=1S/C14H13NO4/c1-2-10-7-8-14(12(16)9-10)19-13-6-4-3-5-11(13)15(17)18/h3-9,16H,2H2,1H3
InChIKeyUYKLSKNNSFJOCF-UHFFFAOYSA-N
XLogP3.66
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.66
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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-nitrophenoxy)phenol?
The IUPAC name of 5-ethyl-2-(2-nitrophenoxy)phenol (CID 126961634) is 5-ethyl-2-(2-nitrophenoxy)phenol.
What is the SMILES notation for 5-ethyl-2-(2-nitrophenoxy)phenol?
The canonical SMILES for 5-ethyl-2-(2-nitrophenoxy)phenol is CCc1ccc(Oc2ccccc2[N+](=O)[O-])c(O)c1.
What is the InChIKey of 5-ethyl-2-(2-nitrophenoxy)phenol?
The InChIKey is UYKLSKNNSFJOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-2-10-7-8-14(12(16)9-10)19-13-6-4-3-5-11(13)15(17)18/h3-9,16H,2H2,1H3.
What are the key properties of 5-ethyl-2-(2-nitrophenoxy)phenol?
5-ethyl-2-(2-nitrophenoxy)phenol has a molecular weight of 259.26 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-nitrophenoxy)phenol is sourced from PubChem (CID 126961634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).