cyclohexyl-(2-hydroxy-4-methyl-5-nitrophenyl)methanone

C14H17NO4 — CID 5259476

IUPACcyclohexyl-(2-hydroxy-4-methyl-5-nitrophenyl)methanone
SMILESCc1cc(O)c(C(=O)C2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H17NO4/c1-9-7-13(16)11(8-12(9)15(18)19)14(17)10-5-3-2-4-6-10/h7-8,10,16H,2-6H2,1H3
InChIKeyZDQLXVFZXAMZHG-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.37
Rot. Bonds3

About cyclohexyl-(2-hydroxy-4-methyl-5-nitrophenyl)methanone

cyclohexyl-(2-hydroxy-4-methyl-5-nitrophenyl)methanone (PubChem CID 5259476) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is cyclohexyl-(2-hydroxy-4-methyl-5-nitrophenyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2-hydroxy-4-methyl-5-nitrophenyl)methanone
PubChem CID5259476
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namecyclohexyl-(2-hydroxy-4-methyl-5-nitrophenyl)methanone
SMILESCc1cc(O)c(C(=O)C2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H17NO4/c1-9-7-13(16)11(8-12(9)15(18)19)14(17)10-5-3-2-4-6-10/h7-8,10,16H,2-6H2,1H3
InChIKeyZDQLXVFZXAMZHG-UHFFFAOYSA-N
XLogP3.37
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.37
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'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-hydroxy-4-methyl-5-nitrophenyl)methanone?
The IUPAC name of cyclohexyl-(2-hydroxy-4-methyl-5-nitrophenyl)methanone (CID 5259476) is cyclohexyl-(2-hydroxy-4-methyl-5-nitrophenyl)methanone.
What is the SMILES notation for cyclohexyl-(2-hydroxy-4-methyl-5-nitrophenyl)methanone?
The canonical SMILES for cyclohexyl-(2-hydroxy-4-methyl-5-nitrophenyl)methanone is Cc1cc(O)c(C(=O)C2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of cyclohexyl-(2-hydroxy-4-methyl-5-nitrophenyl)methanone?
The InChIKey is ZDQLXVFZXAMZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-7-13(16)11(8-12(9)15(18)19)14(17)10-5-3-2-4-6-10/h7-8,10,16H,2-6H2,1H3.
What are the key properties of cyclohexyl-(2-hydroxy-4-methyl-5-nitrophenyl)methanone?
cyclohexyl-(2-hydroxy-4-methyl-5-nitrophenyl)methanone has a molecular weight of 263.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-hydroxy-4-methyl-5-nitrophenyl)methanone is sourced from PubChem (CID 5259476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).