3-methyl-2-nitro-6-propan-2-ylphenol

C10H13NO3 — CID 15036317

IUPAC3-methyl-2-nitro-6-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(O)c1[N+](=O)[O-]
InChIInChI=1S/C10H13NO3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h4-6,12H,1-3H3
InChIKeyCYUYOFIGNXMLPJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.73
Rot. Bonds2

About 3-methyl-2-nitro-6-propan-2-ylphenol

3-methyl-2-nitro-6-propan-2-ylphenol (PubChem CID 15036317) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-methyl-2-nitro-6-propan-2-ylphenol.

Molecular Properties

Compound Name3-methyl-2-nitro-6-propan-2-ylphenol
PubChem CID15036317
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-methyl-2-nitro-6-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(O)c1[N+](=O)[O-]
InChIInChI=1S/C10H13NO3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h4-6,12H,1-3H3
InChIKeyCYUYOFIGNXMLPJ-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-nitro-6-propan-2-ylphenol?
The IUPAC name of 3-methyl-2-nitro-6-propan-2-ylphenol (CID 15036317) is 3-methyl-2-nitro-6-propan-2-ylphenol.
What is the SMILES notation for 3-methyl-2-nitro-6-propan-2-ylphenol?
The canonical SMILES for 3-methyl-2-nitro-6-propan-2-ylphenol is Cc1ccc(C(C)C)c(O)c1[N+](=O)[O-].
What is the InChIKey of 3-methyl-2-nitro-6-propan-2-ylphenol?
The InChIKey is CYUYOFIGNXMLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h4-6,12H,1-3H3.
What are the key properties of 3-methyl-2-nitro-6-propan-2-ylphenol?
3-methyl-2-nitro-6-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 3-methyl-2-nitro-6-propan-2-ylphenol is sourced from PubChem (CID 15036317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).