4-(furan-2-yl)-2-nitrophenol

C10H7NO4 — CID 53221595

IUPAC4-(furan-2-yl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc(-c2ccco2)ccc1O
InChIInChI=1S/C10H7NO4/c12-9-4-3-7(6-8(9)11(13)14)10-2-1-5-15-10/h1-6,12H
InChIKeyWVNHPGWFOXGYQU-UHFFFAOYSA-N
MW205.17 g/mol
LogP2.56
Rot. Bonds2

About 4-(furan-2-yl)-2-nitrophenol

4-(furan-2-yl)-2-nitrophenol (PubChem CID 53221595) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-nitrophenol.

Molecular Properties

Compound Name4-(furan-2-yl)-2-nitrophenol
PubChem CID53221595
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name4-(furan-2-yl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc(-c2ccco2)ccc1O
InChIInChI=1S/C10H7NO4/c12-9-4-3-7(6-8(9)11(13)14)10-2-1-5-15-10/h1-6,12H
InChIKeyWVNHPGWFOXGYQU-UHFFFAOYSA-N
XLogP2.56
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-nitro-4-phenylphenol
CID 13447
5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid
CID 168526418
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
ethane;2-nitro-4-phenylphenol
CID 142062484
2-[3-nitro-4-(2,2,2-trifluoroethoxy)phenyl]furan
CID 168527002
4-(furan-2-yl)-3-nitrophenol
CID 168528827
4-(3,4-difluorophenyl)-2-nitrophenol
CID 53221636
azane;2,4-dinitrophenol;hydrate
CID 174664401
4-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221610
6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol
CID 71089393
3-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221609
methyl 5-(4-hydroxy-3-nitrophenyl)-1,2-oxazole-3-carboxylate
CID 154791683

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-nitrophenol?
The IUPAC name of 4-(furan-2-yl)-2-nitrophenol (CID 53221595) is 4-(furan-2-yl)-2-nitrophenol.
What is the SMILES notation for 4-(furan-2-yl)-2-nitrophenol?
The canonical SMILES for 4-(furan-2-yl)-2-nitrophenol is O=[N+]([O-])c1cc(-c2ccco2)ccc1O.
What is the InChIKey of 4-(furan-2-yl)-2-nitrophenol?
The InChIKey is WVNHPGWFOXGYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-9-4-3-7(6-8(9)11(13)14)10-2-1-5-15-10/h1-6,12H.
What are the key properties of 4-(furan-2-yl)-2-nitrophenol?
4-(furan-2-yl)-2-nitrophenol has a molecular weight of 205.17 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-nitrophenol is sourced from PubChem (CID 53221595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).