3-(4-nitro-3-propan-2-yloxyphenoxy)phenol

C15H15NO5 — CID 83003295

IUPAC3-(4-nitro-3-propan-2-yloxyphenoxy)phenol
SMILESCC(C)Oc1cc(Oc2cccc(O)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15NO5/c1-10(2)20-15-9-13(6-7-14(15)16(18)19)21-12-5-3-4-11(17)8-12/h3-10,17H,1-2H3
InChIKeyUWMLHZPHYJUKBD-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.88
Rot. Bonds5

About 3-(4-nitro-3-propan-2-yloxyphenoxy)phenol

3-(4-nitro-3-propan-2-yloxyphenoxy)phenol (PubChem CID 83003295) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-(4-nitro-3-propan-2-yloxyphenoxy)phenol.

Molecular Properties

Compound Name3-(4-nitro-3-propan-2-yloxyphenoxy)phenol
PubChem CID83003295
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name3-(4-nitro-3-propan-2-yloxyphenoxy)phenol
SMILESCC(C)Oc1cc(Oc2cccc(O)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15NO5/c1-10(2)20-15-9-13(6-7-14(15)16(18)19)21-12-5-3-4-11(17)8-12/h3-10,17H,1-2H3
InChIKeyUWMLHZPHYJUKBD-UHFFFAOYSA-N
XLogP3.88
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(4-nitro-3-propoxyphenoxy)phenol
CID 63670518
5-(3-hydroxyphenoxy)-2-nitrobenzonitrile
CID 115500594
2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine
CID 66885726
4-bromo-1-nitro-2-propan-2-yloxybenzene
CID 22624321
N-methyl-2-(4-nitro-3-propan-2-yloxyphenoxy)ethanamine
CID 83013249
(4-nitro-3-propan-2-yloxyphenyl)hydrazine
CID 83002210
3-(5-amino-4-methyl-2-nitrophenoxy)phenol
CID 118873681
tert-butyl N-[5-(3-hydroxyphenoxy)-2-nitrophenyl]-N-methylcarbamate
CID 18461410
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
3-[(6-nitro-3-pyridinyl)oxy]phenol
CID 114997816
1-[3-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine
CID 102702770
2-nitro-4-propan-2-yloxyphenol
CID 11820026

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitro-3-propan-2-yloxyphenoxy)phenol?
The IUPAC name of 3-(4-nitro-3-propan-2-yloxyphenoxy)phenol (CID 83003295) is 3-(4-nitro-3-propan-2-yloxyphenoxy)phenol.
What is the SMILES notation for 3-(4-nitro-3-propan-2-yloxyphenoxy)phenol?
The canonical SMILES for 3-(4-nitro-3-propan-2-yloxyphenoxy)phenol is CC(C)Oc1cc(Oc2cccc(O)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-(4-nitro-3-propan-2-yloxyphenoxy)phenol?
The InChIKey is UWMLHZPHYJUKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-10(2)20-15-9-13(6-7-14(15)16(18)19)21-12-5-3-4-11(17)8-12/h3-10,17H,1-2H3.
What are the key properties of 3-(4-nitro-3-propan-2-yloxyphenoxy)phenol?
3-(4-nitro-3-propan-2-yloxyphenoxy)phenol has a molecular weight of 289.29 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitro-3-propan-2-yloxyphenoxy)phenol is sourced from PubChem (CID 83003295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).