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

C9H11NO5 — CID 19940167

IUPAC3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol
SMILESCc1c(O)cc([N+](=O)[O-])cc1OCCO
InChIInChI=1S/C9H11NO5/c1-6-8(12)4-7(10(13)14)5-9(6)15-3-2-11/h4-5,11-12H,2-3H2,1H3
InChIKeyPUBCLZOPIMQLJB-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.98
Rot. Bonds4

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

3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol (PubChem CID 19940167) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol.

Molecular Properties

Compound Name3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol
PubChem CID19940167
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol
SMILESCc1c(O)cc([N+](=O)[O-])cc1OCCO
InChIInChI=1S/C9H11NO5/c1-6-8(12)4-7(10(13)14)5-9(6)15-3-2-11/h4-5,11-12H,2-3H2,1H3
InChIKeyPUBCLZOPIMQLJB-UHFFFAOYSA-N
XLogP0.98
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
CID 593462
3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol
CID 67901547
2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol
CID 91369281
2-butoxy-5-nitrophenol
CID 141158099
2-[2-(4,6-dimethylpyrimidin-5-yl)-4-nitrophenoxy]ethanol
CID 163276963
2-amino-3,5-dinitrophenol;2-(2-methoxyethoxy)-4,6-dinitroaniline
CID 161328299
2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol
CID 43520078
4-nitro-2,6-dipropoxyaniline
CID 54333696
2-[4-(2,6-difluoro-4-nitroanilino)-2-methylphenoxy]ethanol
CID 133451113
5-nitro-2-tetradecoxyphenol
CID 19747178
2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol
CID 15326147
2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15326148

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol?
The IUPAC name of 3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol (CID 19940167) is 3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol.
What is the SMILES notation for 3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol?
The canonical SMILES for 3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol is Cc1c(O)cc([N+](=O)[O-])cc1OCCO.
What is the InChIKey of 3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol?
The InChIKey is PUBCLZOPIMQLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-6-8(12)4-7(10(13)14)5-9(6)15-3-2-11/h4-5,11-12H,2-3H2,1H3.
What are the key properties of 3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol?
3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol has a molecular weight of 213.19 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol is sourced from PubChem (CID 19940167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).