1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone

C14H11NO5 — CID 24763777

IUPAC1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone
SMILESCC(=O)c1cc(O)ccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11NO5/c1-9(16)13-8-11(17)4-7-14(13)20-12-5-2-10(3-6-12)15(18)19/h2-8,17H,1H3
InChIKeyIHXCZVGQUPGXRD-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.30
Rot. Bonds4

About 1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone

1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone (PubChem CID 24763777) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone
PubChem CID24763777
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone
SMILESCC(=O)c1cc(O)ccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11NO5/c1-9(16)13-8-11(17)4-7-14(13)20-12-5-2-10(3-6-12)15(18)19/h2-8,17H,1H3
InChIKeyIHXCZVGQUPGXRD-UHFFFAOYSA-N
XLogP3.30
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.30
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'}

Analyze 1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone
CID 62873585
1-[2-(4-nitrophenoxy)phenyl]ethanone
CID 7040232
1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone
CID 62873224
1-[2-(4-bromo-3-methylphenoxy)-5-nitrophenyl]ethanone
CID 83136228
5-fluoro-2-(4-nitrophenoxy)benzoic acid
CID 61032286
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
4-nitrophenol;propan-2-one
CID 18924338
2-(4-nitrophenoxy)benzoic acid
CID 139059188
2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
CID 104707690
1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone
CID 62871575
(4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone
CID 139719116
1-[5-nitro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanone
CID 116801632

Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone?
The IUPAC name of 1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone (CID 24763777) is 1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone is CC(=O)c1cc(O)ccc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone?
The InChIKey is IHXCZVGQUPGXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-9(16)13-8-11(17)4-7-14(13)20-12-5-2-10(3-6-12)15(18)19/h2-8,17H,1H3.
What are the key properties of 1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone?
1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone has a molecular weight of 273.24 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone is sourced from PubChem (CID 24763777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).