5-methyl-4-nitro-2-propan-2-ylphenol

C10H13NO3 — CID 713200

IUPAC5-methyl-4-nitro-2-propan-2-ylphenol
SMILESCc1cc(O)c(C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13NO3/c1-6(2)8-5-9(11(13)14)7(3)4-10(8)12/h4-6,12H,1-3H3
InChIKeyOGPLVXFNLLOORV-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.73
Rot. Bonds2

About 5-methyl-4-nitro-2-propan-2-ylphenol

5-methyl-4-nitro-2-propan-2-ylphenol (PubChem CID 713200) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-methyl-4-nitro-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-methyl-4-nitro-2-propan-2-ylphenol
PubChem CID713200
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-methyl-4-nitro-2-propan-2-ylphenol
SMILESCc1cc(O)c(C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13NO3/c1-6(2)8-5-9(11(13)14)7(3)4-10(8)12/h4-6,12H,1-3H3
InChIKeyOGPLVXFNLLOORV-UHFFFAOYSA-N
XLogP2.73
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-amino-5-methyl-4-nitrophenol
CID 12781867
1,2-dimethyl-4-nitro-5-propan-2-ylbenzene
CID 20588165
3-methyl-6-nitro-2,4-di(propan-2-yl)phenol
CID 23403382
4-[(6-chloro-3-methyl-2,4-dinitrophenyl)diazenyl]-5-methyl-2-propan-2-ylphenol
CID 165365293
4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol
CID 18172665
2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid
CID 119002363
4-nitro-2,5-di(propan-2-yl)aniline
CID 21491970
4-(1-hydroxyethyl)-5-nitrobenzene-1,2-diol
CID 121371654
2-(2-bromo-4-methyl-5-nitrophenyl)-2-hydroxyacetic acid
CID 119015806
4-methyl-3-nitrophenol
CID 16271
4-chloro-2-methyl-1,3-dinitro-5-propan-2-ylbenzene
CID 131861051
4-bromo-2-methyl-1,3-dinitro-5-propan-2-ylbenzene
CID 131860998

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-2-propan-2-ylphenol?
The IUPAC name of 5-methyl-4-nitro-2-propan-2-ylphenol (CID 713200) is 5-methyl-4-nitro-2-propan-2-ylphenol.
What is the SMILES notation for 5-methyl-4-nitro-2-propan-2-ylphenol?
The canonical SMILES for 5-methyl-4-nitro-2-propan-2-ylphenol is Cc1cc(O)c(C(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-2-propan-2-ylphenol?
The InChIKey is OGPLVXFNLLOORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6(2)8-5-9(11(13)14)7(3)4-10(8)12/h4-6,12H,1-3H3.
What are the key properties of 5-methyl-4-nitro-2-propan-2-ylphenol?
5-methyl-4-nitro-2-propan-2-ylphenol has a molecular weight of 195.22 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-2-propan-2-ylphenol is sourced from PubChem (CID 713200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).