2-nitro-4-phenoxyphenol

C12H9NO4 — CID 10775849

IUPAC2-nitro-4-phenoxyphenol
SMILESO=[N+]([O-])c1cc(Oc2ccccc2)ccc1O
InChIInChI=1S/C12H9NO4/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8,14H
InChIKeyPVFPTCXTEHFQGM-UHFFFAOYSA-N
MW231.21 g/mol
LogP3.09
Rot. Bonds3

About 2-nitro-4-phenoxyphenol

2-nitro-4-phenoxyphenol (PubChem CID 10775849) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-nitro-4-phenoxyphenol.

Molecular Properties

Compound Name2-nitro-4-phenoxyphenol
PubChem CID10775849
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC Name2-nitro-4-phenoxyphenol
SMILESO=[N+]([O-])c1cc(Oc2ccccc2)ccc1O
InChIInChI=1S/C12H9NO4/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8,14H
InChIKeyPVFPTCXTEHFQGM-UHFFFAOYSA-N
XLogP3.09
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 53.09
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 2-nitro-4-phenoxyphenol 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

2-nitro-4-phenylphenol
CID 13447
2-nitro-4-propan-2-yloxyphenol
CID 11820026
(2-nitro-5-phenoxyphenyl)methanamine
CID 141138055
1-(2-nitro-4-phenoxyphenyl)pyrrolidine
CID 168515577
4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 31579159
4-[4-(4-hydroxy-3-nitrophenoxy)-2,3,5-trimethylphenoxy]-2-nitrophenol
CID 139938756
2-chloro-N'-(2-nitro-4-phenoxyphenyl)ethanimidamide
CID 169369365
ethane;2-nitro-4-phenylphenol
CID 142062484
[4-(4-hydroxy-3-nitrophenyl)phenyl] benzoate
CID 22922925
3-nitronaphthalen-2-ol
CID 15859501
2-nitro-4-phenoxyaniline;N-(2-nitro-4-phenoxyphenyl)acetamide
CID 158109560
2-nitro-4-(2-phenylethynyl)phenol
CID 70533673

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-phenoxyphenol?
The IUPAC name of 2-nitro-4-phenoxyphenol (CID 10775849) is 2-nitro-4-phenoxyphenol.
What is the SMILES notation for 2-nitro-4-phenoxyphenol?
The canonical SMILES for 2-nitro-4-phenoxyphenol is O=[N+]([O-])c1cc(Oc2ccccc2)ccc1O.
What is the InChIKey of 2-nitro-4-phenoxyphenol?
The InChIKey is PVFPTCXTEHFQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8,14H.
What are the key properties of 2-nitro-4-phenoxyphenol?
2-nitro-4-phenoxyphenol has a molecular weight of 231.21 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-phenoxyphenol is sourced from PubChem (CID 10775849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).