1-[5-(3-nitrophenyl)furan-2-yl]ethanol

C12H11NO4 — CID 62499247

IUPAC1-[5-(3-nitrophenyl)furan-2-yl]ethanol
SMILESCC(O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C12H11NO4/c1-8(14)11-5-6-12(17-11)9-3-2-4-10(7-9)13(15)16/h2-8,14H,1H3
InChIKeyWSAVTMIXGIPZTH-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.91
Rot. Bonds3

About 1-[5-(3-nitrophenyl)furan-2-yl]ethanol

1-[5-(3-nitrophenyl)furan-2-yl]ethanol (PubChem CID 62499247) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 1-[5-(3-nitrophenyl)furan-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(3-nitrophenyl)furan-2-yl]ethanol
PubChem CID62499247
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name1-[5-(3-nitrophenyl)furan-2-yl]ethanol
SMILESCC(O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C12H11NO4/c1-8(14)11-5-6-12(17-11)9-3-2-4-10(7-9)13(15)16/h2-8,14H,1H3
InChIKeyWSAVTMIXGIPZTH-UHFFFAOYSA-N
XLogP2.91
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.91
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

(1S)-1-[5-(4-nitrophenyl)furan-2-yl]ethanol
CID 177461578
1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol
CID 82844602
5-(3-nitrophenyl)furan-2-carbothioamide
CID 82118861
2-[methyl-[[5-(3-nitrophenyl)furan-2-yl]methyl]amino]propanoic acid
CID 122036952
2-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enal
CID 4771792
2-amino-1-[5-(3-nitrophenyl)furan-2-yl]ethanone
CID 170860008
N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5262323
2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 812283
N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351713
[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino] acetate
CID 97032878
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
butyl-methyl-[[5-(3-nitrophenyl)furan-2-yl]methyl]azanium
CID 7443225

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-nitrophenyl)furan-2-yl]ethanol?
The IUPAC name of 1-[5-(3-nitrophenyl)furan-2-yl]ethanol (CID 62499247) is 1-[5-(3-nitrophenyl)furan-2-yl]ethanol.
What is the SMILES notation for 1-[5-(3-nitrophenyl)furan-2-yl]ethanol?
The canonical SMILES for 1-[5-(3-nitrophenyl)furan-2-yl]ethanol is CC(O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of 1-[5-(3-nitrophenyl)furan-2-yl]ethanol?
The InChIKey is WSAVTMIXGIPZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-8(14)11-5-6-12(17-11)9-3-2-4-10(7-9)13(15)16/h2-8,14H,1H3.
What are the key properties of 1-[5-(3-nitrophenyl)furan-2-yl]ethanol?
1-[5-(3-nitrophenyl)furan-2-yl]ethanol has a molecular weight of 233.22 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-nitrophenyl)furan-2-yl]ethanol is sourced from PubChem (CID 62499247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).