2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol

C12H11NO3S — CID 19069460

IUPAC2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol
SMILESO=[N+]([O-])c1ccc(-c2ccccc2CCO)s1
InChIInChI=1S/C12H11NO3S/c14-8-7-9-3-1-2-4-10(9)11-5-6-12(17-11)13(15)16/h1-6,14H,7-8H2
InChIKeyFBMDERLIEIGLAY-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.86
Rot. Bonds4

About 2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol

2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol (PubChem CID 19069460) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol
PubChem CID19069460
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol
SMILESO=[N+]([O-])c1ccc(-c2ccccc2CCO)s1
InChIInChI=1S/C12H11NO3S/c14-8-7-9-3-1-2-4-10(9)11-5-6-12(17-11)13(15)16/h1-6,14H,7-8H2
InChIKeyFBMDERLIEIGLAY-UHFFFAOYSA-N
XLogP2.86
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.86
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

2,5-bis(5-nitrothiophen-2-yl)thiophene
CID 11046018
1-(2-bromoethyl)-2-nitrobenzene;2-(2-nitrophenyl)ethanol
CID 160970428
3-(5-nitrothiophen-2-yl)pyridin-2-amine
CID 96607519
4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol
CID 70020164
(2-nitrophenyl)methanol
CID 11923
N-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine
CID 1379405
2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol
CID 154344655
2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene
CID 10615473
2-(1-nitronaphthalen-2-yl)ethanol
CID 121008268
[2-(5-methylthiophen-2-yl)phenyl]methanol
CID 164647346
N-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine
CID 70526634
2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide
CID 23642561

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol?
The IUPAC name of 2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol (CID 19069460) is 2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol.
What is the SMILES notation for 2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol?
The canonical SMILES for 2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol is O=[N+]([O-])c1ccc(-c2ccccc2CCO)s1.
What is the InChIKey of 2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol?
The InChIKey is FBMDERLIEIGLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c14-8-7-9-3-1-2-4-10(9)11-5-6-12(17-11)13(15)16/h1-6,14H,7-8H2.
What are the key properties of 2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol?
2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol has a molecular weight of 249.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol is sourced from PubChem (CID 19069460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).