7-nitrodibenzothiophen-1-ol

C12H7NO3S — CID 67370482

IUPAC7-nitrodibenzothiophen-1-ol
SMILESO=[N+]([O-])c1ccc2c(c1)sc1cccc(O)c12
InChIInChI=1S/C12H7NO3S/c14-9-2-1-3-10-12(9)8-5-4-7(13(15)16)6-11(8)17-10/h1-6,14H
InChIKeyVZLKTXSFGYPJQR-UHFFFAOYSA-N
MW245.26 g/mol
LogP3.67
Rot. Bonds1

About 7-nitrodibenzothiophen-1-ol

7-nitrodibenzothiophen-1-ol (PubChem CID 67370482) has the molecular formula C12H7NO3S and a molecular weight of 245.26 g/mol. Its IUPAC name is 7-nitrodibenzothiophen-1-ol.

Molecular Properties

Compound Name7-nitrodibenzothiophen-1-ol
PubChem CID67370482
Molecular FormulaC12H7NO3S
Molecular Weight245.26 g/mol
Exact Mass245.01
IUPAC Name7-nitrodibenzothiophen-1-ol
SMILESO=[N+]([O-])c1ccc2c(c1)sc1cccc(O)c12
InChIInChI=1S/C12H7NO3S/c14-9-2-1-3-10-12(9)8-5-4-7(13(15)16)6-11(8)17-10/h1-6,14H
InChIKeyVZLKTXSFGYPJQR-UHFFFAOYSA-N
XLogP3.67
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 53.67
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

6-nitro-1-benzothiophene-2,3-diol
CID 130883313
2-bromo-6-nitro-1-benzothiophen-3-ol
CID 130826530
3,7-dinitro-1-(trifluoromethyl)dibenzothiophene
CID 23068158
3-fluoro-7-nitrodibenzothiophene
CID 54152265
3-iodo-2-nitro-1-benzothiophen-4-ol
CID 130987053
3-chloro-2-iodo-6-nitro-1-benzothiophene
CID 130884305
2-nitrothioxanthen-9-one
CID 12754955
2-(6-nitro-1,3-benzothiazol-2-yl)phenol
CID 162639439
2-amino-6-nitro-1-benzothiophene-3-carbonitrile
CID 14122311
4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol
CID 3094136
3-bromo-5-nitro-1-benzothiophen-2-ol
CID 131030831
2-chloro-5-nitro-1-benzothiophen-3-ol
CID 130955841

Frequently Asked Questions

What is the IUPAC name of 7-nitrodibenzothiophen-1-ol?
The IUPAC name of 7-nitrodibenzothiophen-1-ol (CID 67370482) is 7-nitrodibenzothiophen-1-ol.
What is the SMILES notation for 7-nitrodibenzothiophen-1-ol?
The canonical SMILES for 7-nitrodibenzothiophen-1-ol is O=[N+]([O-])c1ccc2c(c1)sc1cccc(O)c12.
What is the InChIKey of 7-nitrodibenzothiophen-1-ol?
The InChIKey is VZLKTXSFGYPJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO3S/c14-9-2-1-3-10-12(9)8-5-4-7(13(15)16)6-11(8)17-10/h1-6,14H.
What are the key properties of 7-nitrodibenzothiophen-1-ol?
7-nitrodibenzothiophen-1-ol has a molecular weight of 245.26 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitrodibenzothiophen-1-ol is sourced from PubChem (CID 67370482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).