4-cyclopropyl-2-nitrophenol

C9H9NO3 — CID 12608020

IUPAC4-cyclopropyl-2-nitrophenol
SMILESO=[N+]([O-])c1cc(C2CC2)ccc1O
InChIInChI=1S/C9H9NO3/c11-9-4-3-7(6-1-2-6)5-8(9)10(12)13/h3-6,11H,1-2H2
InChIKeyWRBYDWVXPGURRB-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.18
Rot. Bonds2

About 4-cyclopropyl-2-nitrophenol

4-cyclopropyl-2-nitrophenol (PubChem CID 12608020) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 4-cyclopropyl-2-nitrophenol.

Molecular Properties

Compound Name4-cyclopropyl-2-nitrophenol
PubChem CID12608020
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name4-cyclopropyl-2-nitrophenol
SMILESO=[N+]([O-])c1cc(C2CC2)ccc1O
InChIInChI=1S/C9H9NO3/c11-9-4-3-7(6-1-2-6)5-8(9)10(12)13/h3-6,11H,1-2H2
InChIKeyWRBYDWVXPGURRB-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-[(2S)-aziridin-2-yl]-2-nitrophenol
CID 55263727
4-[(2S)-azetidin-2-yl]-2-nitrophenol;hydrochloride
CID 171196666
4-cyclopropyl-2-methyl-6-nitrophenol
CID 12892535
1,2-dimethyl-4-[4-(3-methyl-4-nitrophenyl)cyclohexyl]benzene
CID 122632001
(4S)-4-(4-hydroxy-3-nitrophenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186271
azane;2,4-dinitrophenol;hydrate
CID 174664401
(4R)-5,5-difluoro-4-(4-hydroxy-3-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187726
4-(3-fluoro-4-nitrophenyl)piperidine
CID 83403967
2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid
CID 607768
9-(4-hydroxy-3-nitrophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 126040198
(4-hydroxy-3-nitrophenyl)-piperidin-4-ylmethanone
CID 96827821
4-[(S)-amino(cyclopropyl)methyl]-2-nitrophenol;hydrochloride
CID 171219479

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-nitrophenol?
The IUPAC name of 4-cyclopropyl-2-nitrophenol (CID 12608020) is 4-cyclopropyl-2-nitrophenol.
What is the SMILES notation for 4-cyclopropyl-2-nitrophenol?
The canonical SMILES for 4-cyclopropyl-2-nitrophenol is O=[N+]([O-])c1cc(C2CC2)ccc1O.
What is the InChIKey of 4-cyclopropyl-2-nitrophenol?
The InChIKey is WRBYDWVXPGURRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-9-4-3-7(6-1-2-6)5-8(9)10(12)13/h3-6,11H,1-2H2.
What are the key properties of 4-cyclopropyl-2-nitrophenol?
4-cyclopropyl-2-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 4-cyclopropyl-2-nitrophenol is sourced from PubChem (CID 12608020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).