4-(2-methylthiophen-3-yl)-2-nitrophenol

C11H9NO3S — CID 53445700

IUPAC4-(2-methylthiophen-3-yl)-2-nitrophenol
SMILESCc1sccc1-c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9NO3S/c1-7-9(4-5-16-7)8-2-3-11(13)10(6-8)12(14)15/h2-6,13H,1H3
InChIKeySJVBGYJHUPJZGA-UHFFFAOYSA-N
MW235.26 g/mol
LogP3.34
Rot. Bonds2

About 4-(2-methylthiophen-3-yl)-2-nitrophenol

4-(2-methylthiophen-3-yl)-2-nitrophenol (PubChem CID 53445700) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-(2-methylthiophen-3-yl)-2-nitrophenol.

Molecular Properties

Compound Name4-(2-methylthiophen-3-yl)-2-nitrophenol
PubChem CID53445700
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name4-(2-methylthiophen-3-yl)-2-nitrophenol
SMILESCc1sccc1-c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9NO3S/c1-7-9(4-5-16-7)8-2-3-11(13)10(6-8)12(14)15/h2-6,13H,1H3
InChIKeySJVBGYJHUPJZGA-UHFFFAOYSA-N
XLogP3.34
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 53.34
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

ethane;2-nitro-4-phenylphenol
CID 142062484
2-nitro-4-phenylphenol
CID 13447
4-methyl-2-nitrophenol;4-methylphenol
CID 21439085
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
4-(2,3-difluorophenyl)-2-nitrophenol
CID 53221638
4-(2,3-dichlorophenyl)-2-nitrophenol
CID 53221696
4-(3,4-difluorophenyl)-2-nitrophenol
CID 53221636
4-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221610
6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol
CID 71089393
3-(4-hydroxy-3-nitrophenyl)-6-methyl-7-nitrochromen-4-one
CID 141110186
1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone
CID 53221641
4-(furan-2-yl)-2-nitrophenol
CID 53221595

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylthiophen-3-yl)-2-nitrophenol?
The IUPAC name of 4-(2-methylthiophen-3-yl)-2-nitrophenol (CID 53445700) is 4-(2-methylthiophen-3-yl)-2-nitrophenol.
What is the SMILES notation for 4-(2-methylthiophen-3-yl)-2-nitrophenol?
The canonical SMILES for 4-(2-methylthiophen-3-yl)-2-nitrophenol is Cc1sccc1-c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2-methylthiophen-3-yl)-2-nitrophenol?
The InChIKey is SJVBGYJHUPJZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-7-9(4-5-16-7)8-2-3-11(13)10(6-8)12(14)15/h2-6,13H,1H3.
What are the key properties of 4-(2-methylthiophen-3-yl)-2-nitrophenol?
4-(2-methylthiophen-3-yl)-2-nitrophenol has a molecular weight of 235.26 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylthiophen-3-yl)-2-nitrophenol is sourced from PubChem (CID 53445700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).