2-(3-methyl-2-nitrophenoxy)phenol

C13H11NO4 — CID 114041918

IUPAC2-(3-methyl-2-nitrophenoxy)phenol
SMILESCc1cccc(Oc2ccccc2O)c1[N+](=O)[O-]
InChIInChI=1S/C13H11NO4/c1-9-5-4-8-12(13(9)14(16)17)18-11-7-3-2-6-10(11)15/h2-8,15H,1H3
InChIKeyQCLKIFUXZQNFQX-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.40
Rot. Bonds3

About 2-(3-methyl-2-nitrophenoxy)phenol

2-(3-methyl-2-nitrophenoxy)phenol (PubChem CID 114041918) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-(3-methyl-2-nitrophenoxy)phenol.

Molecular Properties

Compound Name2-(3-methyl-2-nitrophenoxy)phenol
PubChem CID114041918
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name2-(3-methyl-2-nitrophenoxy)phenol
SMILESCc1cccc(Oc2ccccc2O)c1[N+](=O)[O-]
InChIInChI=1S/C13H11NO4/c1-9-5-4-8-12(13(9)14(16)17)18-11-7-3-2-6-10(11)15/h2-8,15H,1H3
InChIKeyQCLKIFUXZQNFQX-UHFFFAOYSA-N
XLogP3.40
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.40
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-(3-methyl-2-nitrophenoxy)phenol 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-methyl-2-nitro-3-(2-nitrophenoxy)benzene
CID 133391393
1-methyl-2-nitro-3-[3,3,4,4-tetrafluoro-2-(3-methyl-2-nitrophenoxy)cyclobuten-1-yl]oxybenzene
CID 121234928
1-[2-(3-methyl-2-nitrophenoxy)phenyl]propan-1-amine
CID 115995653
3-chloro-4-(3-methyl-2-nitrophenoxy)benzoic acid
CID 63090546
1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol
CID 61038303
2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol
CID 60869145
3-bromo-4-(3-methyl-2-nitrophenoxy)pyridine
CID 113452205
5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde
CID 61038190
[3-methyl-4-(3-methyl-2-nitrophenoxy)phenyl]methanamine
CID 62125464
1-methyl-2-nitro-3-phenylmethoxybenzene
CID 3344187
2-(3-methyl-2-nitrophenoxy)acetic acid
CID 43437973
1-methyl-3-(4-methylsulfonyl-2-nitrophenoxy)-2-nitrobenzene
CID 133391416

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-nitrophenoxy)phenol?
The IUPAC name of 2-(3-methyl-2-nitrophenoxy)phenol (CID 114041918) is 2-(3-methyl-2-nitrophenoxy)phenol.
What is the SMILES notation for 2-(3-methyl-2-nitrophenoxy)phenol?
The canonical SMILES for 2-(3-methyl-2-nitrophenoxy)phenol is Cc1cccc(Oc2ccccc2O)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-2-nitrophenoxy)phenol?
The InChIKey is QCLKIFUXZQNFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-9-5-4-8-12(13(9)14(16)17)18-11-7-3-2-6-10(11)15/h2-8,15H,1H3.
What are the key properties of 2-(3-methyl-2-nitrophenoxy)phenol?
2-(3-methyl-2-nitrophenoxy)phenol has a molecular weight of 245.23 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-nitrophenoxy)phenol is sourced from PubChem (CID 114041918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).