3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol

C9H11NO5 — CID 67901547

IUPAC3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol
SMILESCc1c(O)cc([N+](=O)[O-])cc1OC(C)O
InChIInChI=1S/C9H11NO5/c1-5-8(12)3-7(10(13)14)4-9(5)15-6(2)11/h3-4,6,11-12H,1-2H3
InChIKeyCYOOMERDWFGUDI-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.33
Rot. Bonds3

About 3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol

3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol (PubChem CID 67901547) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol.

Molecular Properties

Compound Name3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol
PubChem CID67901547
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol
SMILESCc1c(O)cc([N+](=O)[O-])cc1OC(C)O
InChIInChI=1S/C9H11NO5/c1-5-8(12)3-7(10(13)14)4-9(5)15-6(2)11/h3-4,6,11-12H,1-2H3
InChIKeyCYOOMERDWFGUDI-UHFFFAOYSA-N
XLogP1.33
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-(1-hydroxyethoxy)-2-methyl-5-nitrophenol?
The IUPAC name of 3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol (CID 67901547) is 3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol.
What is the SMILES notation for 3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol?
The canonical SMILES for 3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol is Cc1c(O)cc([N+](=O)[O-])cc1OC(C)O.
What is the InChIKey of 3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol?
The InChIKey is CYOOMERDWFGUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-5-8(12)3-7(10(13)14)4-9(5)15-6(2)11/h3-4,6,11-12H,1-2H3.
What are the key properties of 3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol?
3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol has a molecular weight of 213.19 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol is sourced from PubChem (CID 67901547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).