[2-(4-nitrophenyl)thiophen-3-yl]methanol

C11H9NO3S — CID 134838391

IUPAC[2-(4-nitrophenyl)thiophen-3-yl]methanol
SMILESO=[N+]([O-])c1ccc(-c2sccc2CO)cc1
InChIInChI=1S/C11H9NO3S/c13-7-9-5-6-16-11(9)8-1-3-10(4-2-8)12(14)15/h1-6,13H,7H2
InChIKeyLSQVUTOYDCKKRM-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.82
Rot. Bonds3

About [2-(4-nitrophenyl)thiophen-3-yl]methanol

[2-(4-nitrophenyl)thiophen-3-yl]methanol (PubChem CID 134838391) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is [2-(4-nitrophenyl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name[2-(4-nitrophenyl)thiophen-3-yl]methanol
PubChem CID134838391
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name[2-(4-nitrophenyl)thiophen-3-yl]methanol
SMILESO=[N+]([O-])c1ccc(-c2sccc2CO)cc1
InChIInChI=1S/C11H9NO3S/c13-7-9-5-6-16-11(9)8-1-3-10(4-2-8)12(14)15/h1-6,13H,7H2
InChIKeyLSQVUTOYDCKKRM-UHFFFAOYSA-N
XLogP2.82
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.82
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-(4-nitrophenyl)thiophene
CID 609512
ethanol;1,2,3,4,5,6-hexakis(4-nitrophenyl)benzene
CID 139036987
1-(3-ethylthiophen-2-yl)-2-(4-nitrophenyl)ethanone
CID 79975958
ethanol;1-methyl-4-nitrobenzene
CID 91088173
(5-nitro-1-benzothiophen-3-yl)methanol
CID 11790454
1-(3-ethylthiophen-2-yl)-2-(4-nitrophenyl)ethanol
CID 79975290
[4-[(4-nitrophenyl)methyl]phenyl]methanol
CID 118428999
1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium
CID 23422057
(2-iodo-5-nitrophenyl)methanol
CID 118269742
3-nitro-2-phenylthiophene;1H-pyrrole
CID 68501206
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
2-methyl-4-(4-nitrophenyl)thiophene
CID 86273277

Frequently Asked Questions

What is the IUPAC name of [2-(4-nitrophenyl)thiophen-3-yl]methanol?
The IUPAC name of [2-(4-nitrophenyl)thiophen-3-yl]methanol (CID 134838391) is [2-(4-nitrophenyl)thiophen-3-yl]methanol.
What is the SMILES notation for [2-(4-nitrophenyl)thiophen-3-yl]methanol?
The canonical SMILES for [2-(4-nitrophenyl)thiophen-3-yl]methanol is O=[N+]([O-])c1ccc(-c2sccc2CO)cc1.
What is the InChIKey of [2-(4-nitrophenyl)thiophen-3-yl]methanol?
The InChIKey is LSQVUTOYDCKKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c13-7-9-5-6-16-11(9)8-1-3-10(4-2-8)12(14)15/h1-6,13H,7H2.
What are the key properties of [2-(4-nitrophenyl)thiophen-3-yl]methanol?
[2-(4-nitrophenyl)thiophen-3-yl]methanol has a molecular weight of 235.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-nitrophenyl)thiophen-3-yl]methanol is sourced from PubChem (CID 134838391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).