[3-(5-nitrofuran-2-yl)phenyl]methanol

C11H9NO4 — CID 56604464

IUPAC[3-(5-nitrofuran-2-yl)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(-c2cccc(CO)c2)o1
InChIInChI=1S/C11H9NO4/c13-7-8-2-1-3-9(6-8)10-4-5-11(16-10)12(14)15/h1-6,13H,7H2
InChIKeyKZQYPSASJWRENB-UHFFFAOYSA-N
MW219.20 g/mol
LogP2.35
Rot. Bonds3

About [3-(5-nitrofuran-2-yl)phenyl]methanol

[3-(5-nitrofuran-2-yl)phenyl]methanol (PubChem CID 56604464) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is [3-(5-nitrofuran-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(5-nitrofuran-2-yl)phenyl]methanol
PubChem CID56604464
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name[3-(5-nitrofuran-2-yl)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(-c2cccc(CO)c2)o1
InChIInChI=1S/C11H9NO4/c13-7-8-2-1-3-9(6-8)10-4-5-11(16-10)12(14)15/h1-6,13H,7H2
InChIKeyKZQYPSASJWRENB-UHFFFAOYSA-N
XLogP2.35
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 52.35
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

N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-nitrofuran-2-carboxamide
CID 28669553
[3-(1,3-oxazol-5-yl)phenyl]methanol
CID 54312387
2-amino-1-[5-(3-nitrophenyl)furan-2-yl]ethanone
CID 170860008
5-[5-[3-(hydroxymethyl)phenyl]furan-2-yl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 89318364
[3-[(3-nitrophenyl)methylamino]phenyl]methanol
CID 43231446
5-(3-nitrophenyl)furan-2-carbothioamide
CID 82118861
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 28670712
nitrobenzene;phenylmethanol
CID 160558550
[3-(1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 134817586
1-[5-(3-nitrophenyl)furan-2-yl]ethanol
CID 62499247
3-[[(5-nitrofuran-2-yl)methylamino]methyl]benzamide
CID 43778796
[3-[(2-nitroanilino)methyl]phenyl]methanol
CID 63312075

Frequently Asked Questions

What is the IUPAC name of [3-(5-nitrofuran-2-yl)phenyl]methanol?
The IUPAC name of [3-(5-nitrofuran-2-yl)phenyl]methanol (CID 56604464) is [3-(5-nitrofuran-2-yl)phenyl]methanol.
What is the SMILES notation for [3-(5-nitrofuran-2-yl)phenyl]methanol?
The canonical SMILES for [3-(5-nitrofuran-2-yl)phenyl]methanol is O=[N+]([O-])c1ccc(-c2cccc(CO)c2)o1.
What is the InChIKey of [3-(5-nitrofuran-2-yl)phenyl]methanol?
The InChIKey is KZQYPSASJWRENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-7-8-2-1-3-9(6-8)10-4-5-11(16-10)12(14)15/h1-6,13H,7H2.
What are the key properties of [3-(5-nitrofuran-2-yl)phenyl]methanol?
[3-(5-nitrofuran-2-yl)phenyl]methanol has a molecular weight of 219.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-nitrofuran-2-yl)phenyl]methanol is sourced from PubChem (CID 56604464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).