4-(2-methyl-4,6-dinitrophenyl)phenol

C13H10N2O5 — CID 174957574

IUPAC4-(2-methyl-4,6-dinitrophenyl)phenol
SMILESCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-c1ccc(O)cc1
InChIInChI=1S/C13H10N2O5/c1-8-6-10(14(17)18)7-12(15(19)20)13(8)9-2-4-11(16)5-3-9/h2-7,16H,1H3
InChIKeySCSAPLCGCOPRKP-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.18
Rot. Bonds3

About 4-(2-methyl-4,6-dinitrophenyl)phenol

4-(2-methyl-4,6-dinitrophenyl)phenol (PubChem CID 174957574) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 4-(2-methyl-4,6-dinitrophenyl)phenol.

Molecular Properties

Compound Name4-(2-methyl-4,6-dinitrophenyl)phenol
PubChem CID174957574
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name4-(2-methyl-4,6-dinitrophenyl)phenol
SMILESCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-c1ccc(O)cc1
InChIInChI=1S/C13H10N2O5/c1-8-6-10(14(17)18)7-12(15(19)20)13(8)9-2-4-11(16)5-3-9/h2-7,16H,1H3
InChIKeySCSAPLCGCOPRKP-UHFFFAOYSA-N
XLogP3.18
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.18
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

benzene-1,4-diol;2-methyl-1,3,5-trinitrobenzene
CID 88762858
2-(4-methylphenyl)-1,3,5-trinitrobenzene
CID 22342000
sodium;hydride;2-methyl-4,6-dinitrophenol
CID 173366474
2-methyl-4,6-dinitrophenol;2-methyl-1,3,5-trinitrobenzene
CID 87639053
4-methylphenol;4-nitrophenol
CID 68529378
1,3-dimethyl-5-nitro-2-[4-(trifluoromethyl)phenyl]benzene
CID 67485659
sodium;4-(2,4-dinitrophenyl)phenol;hydride
CID 174918783
ethane-1,2-diol;2-methyl-4,6-dinitrophenol
CID 87637947
4-methyl-3-nitrophenol
CID 16271
(2,6-dimethyl-4-nitrophenyl)boronic acid
CID 130120841
3-methyl-4-(4-nitrophenyl)phenol
CID 118072447
2-methyl-1,3,5-trinitrobenzene
CID 87172748

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4,6-dinitrophenyl)phenol?
The IUPAC name of 4-(2-methyl-4,6-dinitrophenyl)phenol (CID 174957574) is 4-(2-methyl-4,6-dinitrophenyl)phenol.
What is the SMILES notation for 4-(2-methyl-4,6-dinitrophenyl)phenol?
The canonical SMILES for 4-(2-methyl-4,6-dinitrophenyl)phenol is Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-c1ccc(O)cc1.
What is the InChIKey of 4-(2-methyl-4,6-dinitrophenyl)phenol?
The InChIKey is SCSAPLCGCOPRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-8-6-10(14(17)18)7-12(15(19)20)13(8)9-2-4-11(16)5-3-9/h2-7,16H,1H3.
What are the key properties of 4-(2-methyl-4,6-dinitrophenyl)phenol?
4-(2-methyl-4,6-dinitrophenyl)phenol has a molecular weight of 274.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4,6-dinitrophenyl)phenol is sourced from PubChem (CID 174957574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).