5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde

C12H9NO5 — CID 169334795

IUPAC5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde
SMILESCc1cc(-c2ccc(C=O)o2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9NO5/c1-7-4-9(11-3-2-8(6-14)18-11)12(15)10(5-7)13(16)17/h2-6,15H,1H3
InChIKeyRYHNSPGVSFDVAB-UHFFFAOYSA-N
MW247.21 g/mol
LogP2.68
Rot. Bonds3

About 5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde

5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde (PubChem CID 169334795) has the molecular formula C12H9NO5 and a molecular weight of 247.21 g/mol. Its IUPAC name is 5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde
PubChem CID169334795
Molecular FormulaC12H9NO5
Molecular Weight247.21 g/mol
Exact Mass247.05
IUPAC Name5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde
SMILESCc1cc(-c2ccc(C=O)o2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9NO5/c1-7-4-9(11-3-2-8(6-14)18-11)12(15)10(5-7)13(16)17/h2-6,15H,1H3
InChIKeyRYHNSPGVSFDVAB-UHFFFAOYSA-N
XLogP2.68
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(5-chloro-2-hydroxy-3-nitrophenyl)furan-2-carbaldehyde
CID 169331889
5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde
CID 169333590
5-(2,4-dimethyl-5-nitrophenyl)furan-2-carbaldehyde
CID 3470512
5-(4-tert-butyl-2-nitrophenyl)furan-2-carbaldehyde
CID 169331711
5-(2,4-dimethoxy-3-methyl-5-nitrophenyl)furan-2-carbaldehyde
CID 169332956
(NZ)-N-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
CID 28875195
(E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine
CID 50884135
5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
CID 169333294
5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde
CID 169332790
5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde
CID 169333305
2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
CID 124662764
5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde
CID 169332012

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde (CID 169334795) is 5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde is Cc1cc(-c2ccc(C=O)o2)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde?
The InChIKey is RYHNSPGVSFDVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO5/c1-7-4-9(11-3-2-8(6-14)18-11)12(15)10(5-7)13(16)17/h2-6,15H,1H3.
What are the key properties of 5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde?
5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde has a molecular weight of 247.21 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169334795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).