(4-hydroxyphenyl)-(4-nitrophenyl)methanone

C13H9NO4 — CID 11096817

IUPAC(4-hydroxyphenyl)-(4-nitrophenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H9NO4/c15-12-7-3-10(4-8-12)13(16)9-1-5-11(6-2-9)14(17)18/h1-8,15H
InChIKeyZEYDQRVULMQZIU-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.53
Rot. Bonds3

About (4-hydroxyphenyl)-(4-nitrophenyl)methanone

(4-hydroxyphenyl)-(4-nitrophenyl)methanone (PubChem CID 11096817) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is (4-hydroxyphenyl)-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-(4-nitrophenyl)methanone
PubChem CID11096817
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name(4-hydroxyphenyl)-(4-nitrophenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H9NO4/c15-12-7-3-10(4-8-12)13(16)9-1-5-11(6-2-9)14(17)18/h1-8,15H
InChIKeyZEYDQRVULMQZIU-UHFFFAOYSA-N
XLogP2.53
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.53
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'}

Analyze (4-hydroxyphenyl)-(4-nitrophenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-(4-nitrophenyl)methanone?
The IUPAC name of (4-hydroxyphenyl)-(4-nitrophenyl)methanone (CID 11096817) is (4-hydroxyphenyl)-(4-nitrophenyl)methanone.
What is the SMILES notation for (4-hydroxyphenyl)-(4-nitrophenyl)methanone?
The canonical SMILES for (4-hydroxyphenyl)-(4-nitrophenyl)methanone is O=C(c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-hydroxyphenyl)-(4-nitrophenyl)methanone?
The InChIKey is ZEYDQRVULMQZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c15-12-7-3-10(4-8-12)13(16)9-1-5-11(6-2-9)14(17)18/h1-8,15H.
What are the key properties of (4-hydroxyphenyl)-(4-nitrophenyl)methanone?
(4-hydroxyphenyl)-(4-nitrophenyl)methanone has a molecular weight of 243.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-(4-nitrophenyl)methanone is sourced from PubChem (CID 11096817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).