3-(4-nitro-3-propoxyphenoxy)phenol

C15H15NO5 — CID 63670518

IUPAC3-(4-nitro-3-propoxyphenoxy)phenol
SMILESCCCOc1cc(Oc2cccc(O)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15NO5/c1-2-8-20-15-10-13(6-7-14(15)16(18)19)21-12-5-3-4-11(17)9-12/h3-7,9-10,17H,2,8H2,1H3
InChIKeyWTJXBKKRHNQNRZ-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.88
Rot. Bonds6

About 3-(4-nitro-3-propoxyphenoxy)phenol

3-(4-nitro-3-propoxyphenoxy)phenol (PubChem CID 63670518) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-(4-nitro-3-propoxyphenoxy)phenol.

Molecular Properties

Compound Name3-(4-nitro-3-propoxyphenoxy)phenol
PubChem CID63670518
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name3-(4-nitro-3-propoxyphenoxy)phenol
SMILESCCCOc1cc(Oc2cccc(O)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15NO5/c1-2-8-20-15-10-13(6-7-14(15)16(18)19)21-12-5-3-4-11(17)9-12/h3-7,9-10,17H,2,8H2,1H3
InChIKeyWTJXBKKRHNQNRZ-UHFFFAOYSA-N
XLogP3.88
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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-propan-2-yloxyphenoxy)phenol
CID 83003295
2-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine
CID 175267147
5-(3-hydroxyphenoxy)-2-nitrobenzonitrile
CID 115500594
N-[2-(4-nitro-3-propoxyphenoxy)ethyl]propan-1-amine
CID 63677945
ethyl 2-[5-(3-aminophenoxy)-2-nitrophenoxy]acetate
CID 23393974
2-(4-nitro-3-propoxyphenyl)sulfanylphenol
CID 63675859
3-(4-nitro-3-propoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 63676680
4-(bromomethyl)-1-nitro-2-propoxybenzene
CID 62114866
4-(3-ethoxy-4-nitrophenoxy)benzamide
CID 133425253
4-(4-nitro-3-propoxyphenoxy)piperidine
CID 63678351
3-[(6-nitro-3-pyridinyl)oxy]phenol
CID 114997816
1-nitro-4-[4-nitro-3-(2,2,2-trifluoroethoxy)phenoxy]-2-(2,2,2-trifluoroethoxy)benzene
CID 88829100

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitro-3-propoxyphenoxy)phenol?
The IUPAC name of 3-(4-nitro-3-propoxyphenoxy)phenol (CID 63670518) is 3-(4-nitro-3-propoxyphenoxy)phenol.
What is the SMILES notation for 3-(4-nitro-3-propoxyphenoxy)phenol?
The canonical SMILES for 3-(4-nitro-3-propoxyphenoxy)phenol is CCCOc1cc(Oc2cccc(O)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-(4-nitro-3-propoxyphenoxy)phenol?
The InChIKey is WTJXBKKRHNQNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-2-8-20-15-10-13(6-7-14(15)16(18)19)21-12-5-3-4-11(17)9-12/h3-7,9-10,17H,2,8H2,1H3.
What are the key properties of 3-(4-nitro-3-propoxyphenoxy)phenol?
3-(4-nitro-3-propoxyphenoxy)phenol has a molecular weight of 289.29 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitro-3-propoxyphenoxy)phenol is sourced from PubChem (CID 63670518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).