2-cyclopropyl-4-nitrophenol

C9H9NO3 — CID 58858109

IUPAC2-cyclopropyl-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(C2CC2)c1
InChIInChI=1S/C9H9NO3/c11-9-4-3-7(10(12)13)5-8(9)6-1-2-6/h3-6,11H,1-2H2
InChIKeyWHWXPAICHYDDJI-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.18
Rot. Bonds2

About 2-cyclopropyl-4-nitrophenol

2-cyclopropyl-4-nitrophenol (PubChem CID 58858109) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-cyclopropyl-4-nitrophenol.

Molecular Properties

Compound Name2-cyclopropyl-4-nitrophenol
PubChem CID58858109
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name2-cyclopropyl-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(C2CC2)c1
InChIInChI=1S/C9H9NO3/c11-9-4-3-7(10(12)13)5-8(9)6-1-2-6/h3-6,11H,1-2H2
InChIKeyWHWXPAICHYDDJI-UHFFFAOYSA-N
XLogP2.18
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.18
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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Related Compounds

4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one
CID 131262023
2-cyclopentyl-4-nitroaniline
CID 68656772
methyl 2-cyclopropyl-4-nitrobenzoate
CID 71252214
(4R)-5,5-difluoro-4-(2-hydroxy-5-nitrophenyl)-1,3-oxazinan-2-one
CID 171187509
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
azane;2,4-dinitrophenol;hydrate
CID 174664401
N-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide
CID 167080558
potassium 2-chloro-4-nitrophenol
CID 71150199
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-4-nitrophenol
CID 117381112
cyclohexene;4-nitrobenzene-1,2-diol
CID 174564201
2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol
CID 56975056
4-cyclopropyl-2-nitrophenol
CID 12608020

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-nitrophenol?
The IUPAC name of 2-cyclopropyl-4-nitrophenol (CID 58858109) is 2-cyclopropyl-4-nitrophenol.
What is the SMILES notation for 2-cyclopropyl-4-nitrophenol?
The canonical SMILES for 2-cyclopropyl-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-4-nitrophenol?
The InChIKey is WHWXPAICHYDDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-9-4-3-7(10(12)13)5-8(9)6-1-2-6/h3-6,11H,1-2H2.
What are the key properties of 2-cyclopropyl-4-nitrophenol?
2-cyclopropyl-4-nitrophenol has a molecular weight of 179.18 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-nitrophenol is sourced from PubChem (CID 58858109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).