2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol

C18H19NO2S — CID 57052258

IUPAC2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol
SMILESCN(C)CCOc1ccc(-c2cc3ccc(O)cc3s2)cc1
InChIInChI=1S/C18H19NO2S/c1-19(2)9-10-21-16-7-4-13(5-8-16)17-11-14-3-6-15(20)12-18(14)22-17/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyZGHNXSWAIQWCOY-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.21
Rot. Bonds5

About 2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol

2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol (PubChem CID 57052258) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol
PubChem CID57052258
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol
SMILESCN(C)CCOc1ccc(-c2cc3ccc(O)cc3s2)cc1
InChIInChI=1S/C18H19NO2S/c1-19(2)9-10-21-16-7-4-13(5-8-16)17-11-14-3-6-15(20)12-18(14)22-17/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyZGHNXSWAIQWCOY-UHFFFAOYSA-N
XLogP4.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(dimethylamino)ethoxy]phenyl]-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-1-benzothiophen-3-yl]methanone
CID 22753319
2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-6-ol
CID 146526475
3-[5-[2-(dimethylamino)ethoxy]-2-methylphenyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol
CID 70148044
2-phenyl-1-benzothiophen-6-ol
CID 11117751
2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine
CID 57244323
(2-cyclopentyl-6-hydroxy-1-benzothiophen-3-yl)-[4-[2-(dimethylamino)ethoxy]phenyl]methanone
CID 15294979
2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine
CID 11640057
tri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane
CID 57258756
2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol
CID 56976087
4-[4-[2-(dimethylamino)ethoxy]phenyl]-7-hydroxy-3-(4-methoxyphenoxy)chromen-2-one
CID 142929066
2-[6-[2-(dimethylamino)ethoxy]acridin-3-yl]oxy-N,N-dimethylethanamine
CID 20553504
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]but-1-enyl]phenol
CID 18988705

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol?
The IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol (CID 57052258) is 2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol is CN(C)CCOc1ccc(-c2cc3ccc(O)cc3s2)cc1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol?
The InChIKey is ZGHNXSWAIQWCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-19(2)9-10-21-16-7-4-13(5-8-16)17-11-14-3-6-15(20)12-18(14)22-17/h3-8,11-12,20H,9-10H2,1-2H3.
What are the key properties of 2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol?
2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol has a molecular weight of 313.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol is sourced from PubChem (CID 57052258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).