1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol

C14H15NO4 — CID 103145667

IUPAC1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol
SMILESCc1cc([N+](=O)[O-])c(C)cc1-c1ccc(C(C)O)o1
InChIInChI=1S/C14H15NO4/c1-8-7-12(15(17)18)9(2)6-11(8)14-5-4-13(19-14)10(3)16/h4-7,10,16H,1-3H3
InChIKeyJRMMTSQBBDOTQP-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.52
Rot. Bonds3

About 1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol

1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol (PubChem CID 103145667) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol
PubChem CID103145667
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol
SMILESCc1cc([N+](=O)[O-])c(C)cc1-c1ccc(C(C)O)o1
InChIInChI=1S/C14H15NO4/c1-8-7-12(15(17)18)9(2)6-11(8)14-5-4-13(19-14)10(3)16/h4-7,10,16H,1-3H3
InChIKeyJRMMTSQBBDOTQP-UHFFFAOYSA-N
XLogP3.52
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.52
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

1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]ethanamine
CID 104668279
1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol
CID 104668330
1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol
CID 82844602
5-(2,4-dimethyl-5-nitrophenyl)furan-2-carbaldehyde
CID 3470512
(1S)-1-[5-(4-nitrophenyl)furan-2-yl]ethanol
CID 177461578
1-[5-(3-nitrophenyl)furan-2-yl]ethanol
CID 62499247
N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine
CID 5137705
5-(2,5-dimethyl-4-nitrophenyl)-1-methylpyrrole-2-carboxylic acid
CID 103145659
1-(2,5-dimethyl-4-nitrophenoxy)propan-2-ol
CID 65277371
ethyl (4S)-4-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92860981
1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol
CID 62499403
5-methyl-4-nitro-2-propan-2-ylphenol
CID 713200

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol?
The IUPAC name of 1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol (CID 103145667) is 1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol.
What is the SMILES notation for 1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol?
The canonical SMILES for 1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol is Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(C(C)O)o1.
What is the InChIKey of 1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol?
The InChIKey is JRMMTSQBBDOTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8-7-12(15(17)18)9(2)6-11(8)14-5-4-13(19-14)10(3)16/h4-7,10,16H,1-3H3.
What are the key properties of 1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol?
1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol has a molecular weight of 261.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol is sourced from PubChem (CID 103145667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).