2-(2-methyl-3-nitrophenyl)ethanol

C9H11NO3 — CID 11998857

IUPAC2-(2-methyl-3-nitrophenyl)ethanol
SMILESCc1c(CCO)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H11NO3/c1-7-8(5-6-11)3-2-4-9(7)10(12)13/h2-4,11H,5-6H2,1H3
InChIKeyLBOLDCCWPUYOFS-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.44
Rot. Bonds3

About 2-(2-methyl-3-nitrophenyl)ethanol

2-(2-methyl-3-nitrophenyl)ethanol (PubChem CID 11998857) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(2-methyl-3-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-3-nitrophenyl)ethanol
PubChem CID11998857
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(2-methyl-3-nitrophenyl)ethanol
SMILESCc1c(CCO)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H11NO3/c1-7-8(5-6-11)3-2-4-9(7)10(12)13/h2-4,11H,5-6H2,1H3
InChIKeyLBOLDCCWPUYOFS-UHFFFAOYSA-N
XLogP1.44
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.44
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 2-(2-methyl-3-nitrophenyl)ethanol?
The IUPAC name of 2-(2-methyl-3-nitrophenyl)ethanol (CID 11998857) is 2-(2-methyl-3-nitrophenyl)ethanol.
What is the SMILES notation for 2-(2-methyl-3-nitrophenyl)ethanol?
The canonical SMILES for 2-(2-methyl-3-nitrophenyl)ethanol is Cc1c(CCO)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-methyl-3-nitrophenyl)ethanol?
The InChIKey is LBOLDCCWPUYOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-7-8(5-6-11)3-2-4-9(7)10(12)13/h2-4,11H,5-6H2,1H3.
What are the key properties of 2-(2-methyl-3-nitrophenyl)ethanol?
2-(2-methyl-3-nitrophenyl)ethanol has a molecular weight of 181.19 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-nitrophenyl)ethanol is sourced from PubChem (CID 11998857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).