2-[2-(4-nitrophenoxy)ethyl]phenol

C14H13NO4 — CID 71616729

IUPAC2-[2-(4-nitrophenoxy)ethyl]phenol
SMILESO=[N+]([O-])c1ccc(OCCc2ccccc2O)cc1
InChIInChI=1S/C14H13NO4/c16-14-4-2-1-3-11(14)9-10-19-13-7-5-12(6-8-13)15(17)18/h1-8,16H,9-10H2
InChIKeyVFMSXZXKOAYJAY-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.92
Rot. Bonds5

About 2-[2-(4-nitrophenoxy)ethyl]phenol

2-[2-(4-nitrophenoxy)ethyl]phenol (PubChem CID 71616729) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[2-(4-nitrophenoxy)ethyl]phenol.

Molecular Properties

Compound Name2-[2-(4-nitrophenoxy)ethyl]phenol
PubChem CID71616729
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-[2-(4-nitrophenoxy)ethyl]phenol
SMILESO=[N+]([O-])c1ccc(OCCc2ccccc2O)cc1
InChIInChI=1S/C14H13NO4/c16-14-4-2-1-3-11(14)9-10-19-13-7-5-12(6-8-13)15(17)18/h1-8,16H,9-10H2
InChIKeyVFMSXZXKOAYJAY-UHFFFAOYSA-N
XLogP2.92
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.92
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

1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
3-(4-nitrophenoxy)propanoate
CID 6993075
1-(3-iodopropoxy)-4-nitrobenzene
CID 15675890
2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 14691830
1-iodo-2-[2-(4-nitrophenoxy)ethoxy]benzene
CID 141496946
[2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 43520060
N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine
CID 71951323
1-(4-bromobutoxy)-4-nitrobenzene
CID 2063669
3-(4-nitrophenoxy)propane-1-sulfonic acid
CID 3017110
1-(4-nitrophenoxy)-3-phenoxypropan-2-ol
CID 10493641
2-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]ethanamine
CID 142384195
2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
CID 107713105

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-nitrophenoxy)ethyl]phenol?
The IUPAC name of 2-[2-(4-nitrophenoxy)ethyl]phenol (CID 71616729) is 2-[2-(4-nitrophenoxy)ethyl]phenol.
What is the SMILES notation for 2-[2-(4-nitrophenoxy)ethyl]phenol?
The canonical SMILES for 2-[2-(4-nitrophenoxy)ethyl]phenol is O=[N+]([O-])c1ccc(OCCc2ccccc2O)cc1.
What is the InChIKey of 2-[2-(4-nitrophenoxy)ethyl]phenol?
The InChIKey is VFMSXZXKOAYJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-14-4-2-1-3-11(14)9-10-19-13-7-5-12(6-8-13)15(17)18/h1-8,16H,9-10H2.
What are the key properties of 2-[2-(4-nitrophenoxy)ethyl]phenol?
2-[2-(4-nitrophenoxy)ethyl]phenol has a molecular weight of 259.26 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-nitrophenoxy)ethyl]phenol is sourced from PubChem (CID 71616729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).