1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol

C17H17NOS — CID 81141860

IUPAC1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccc(C(O)c2cccc3ccsc23)cc1
InChIInChI=1S/C17H17NOS/c1-18(2)14-8-6-12(7-9-14)16(19)15-5-3-4-13-10-11-20-17(13)15/h3-11,16,19H,1-2H3
InChIKeyNKMOFGOBSVASIS-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.05
Rot. Bonds3

About 1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol

1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol (PubChem CID 81141860) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol.

Molecular Properties

Compound Name1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol
PubChem CID81141860
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccc(C(O)c2cccc3ccsc23)cc1
InChIInChI=1S/C17H17NOS/c1-18(2)14-8-6-12(7-9-14)16(19)15-5-3-4-13-10-11-20-17(13)15/h3-11,16,19H,1-2H3
InChIKeyNKMOFGOBSVASIS-UHFFFAOYSA-N
XLogP4.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol
CID 81131841
1-benzothiophen-7-yl-(5-bromothiophen-3-yl)methanol
CID 105119099
1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol
CID 115827311
(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol
CID 686964
[4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol
CID 63895218
(2-bromophenyl)-[4-(dimethylamino)phenyl]methanol
CID 118122372
1-benzothiophen-7-yl-(3-bromo-5-fluorophenyl)methanol
CID 81154206
1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol
CID 104817073
1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol
CID 81154092
[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 82805394
1-benzothiophen-7-yl(thiadiazol-4-yl)methanol
CID 105119193
1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol
CID 106859446

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol?
The IUPAC name of 1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol (CID 81141860) is 1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol.
What is the SMILES notation for 1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol?
The canonical SMILES for 1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol is CN(C)c1ccc(C(O)c2cccc3ccsc23)cc1.
What is the InChIKey of 1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol?
The InChIKey is NKMOFGOBSVASIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-18(2)14-8-6-12(7-9-14)16(19)15-5-3-4-13-10-11-20-17(13)15/h3-11,16,19H,1-2H3.
What are the key properties of 1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol?
1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol has a molecular weight of 283.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol is sourced from PubChem (CID 81141860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).