4-(furan-2-yl)-3-nitrophenol

C10H7NO4 — CID 168528827

IUPAC4-(furan-2-yl)-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1-c1ccco1
InChIInChI=1S/C10H7NO4/c12-7-3-4-8(9(6-7)11(13)14)10-2-1-5-15-10/h1-6,12H
InChIKeyIDGONVBOQBJZKT-UHFFFAOYSA-N
MW205.17 g/mol
LogP2.56
Rot. Bonds2

About 4-(furan-2-yl)-3-nitrophenol

4-(furan-2-yl)-3-nitrophenol (PubChem CID 168528827) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-nitrophenol.

Molecular Properties

Compound Name4-(furan-2-yl)-3-nitrophenol
PubChem CID168528827
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name4-(furan-2-yl)-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1-c1ccco1
InChIInChI=1S/C10H7NO4/c12-7-3-4-8(9(6-7)11(13)14)10-2-1-5-15-10/h1-6,12H
InChIKeyIDGONVBOQBJZKT-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-(4-butyl-2-nitrophenyl)furan
CID 168524592
[4-(furan-2-yl)-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 168527760
2-(furan-2-yl)-5-nitrobenzenethiol
CID 168527831
4-(furan-2-yl)-2-nitrophenol
CID 53221595
3-(furan-2-yl)-4-methyl-5-nitrobenzamide
CID 168526052
3-(furan-2-yl)-4-methylphenol
CID 131162785
2-[2-nitro-5-(trifluoromethyl)phenyl]furan
CID 168526595
2-(4-bromo-2-methyl-5-nitrophenyl)furan
CID 168525004
4-hydroxy-2-nitrophenolate
CID 36690956
4-methyl-3-nitrophenol
CID 16271
5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid
CID 168526418
4-(methylamino)-3-nitrophenol
CID 22832045

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-nitrophenol?
The IUPAC name of 4-(furan-2-yl)-3-nitrophenol (CID 168528827) is 4-(furan-2-yl)-3-nitrophenol.
What is the SMILES notation for 4-(furan-2-yl)-3-nitrophenol?
The canonical SMILES for 4-(furan-2-yl)-3-nitrophenol is O=[N+]([O-])c1cc(O)ccc1-c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-3-nitrophenol?
The InChIKey is IDGONVBOQBJZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-7-3-4-8(9(6-7)11(13)14)10-2-1-5-15-10/h1-6,12H.
What are the key properties of 4-(furan-2-yl)-3-nitrophenol?
4-(furan-2-yl)-3-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)-3-nitrophenol is sourced from PubChem (CID 168528827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).