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

C15H9F3O2S — CID 146526475

IUPAC2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-6-ol
SMILESOc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)sc2c1
InChIInChI=1S/C15H9F3O2S/c16-15(17,18)20-12-5-2-9(3-6-12)13-7-10-1-4-11(19)8-14(10)21-13/h1-8,19H
InChIKeyBGGFDBZAVDNULF-UHFFFAOYSA-N
MW310.30 g/mol
LogP5.17
Rot. Bonds2

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

2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-6-ol (PubChem CID 146526475) has the molecular formula C15H9F3O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-6-ol
PubChem CID146526475
Molecular FormulaC15H9F3O2S
Molecular Weight310.30 g/mol
Exact Mass310.03
IUPAC Name2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-6-ol
SMILESOc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)sc2c1
InChIInChI=1S/C15H9F3O2S/c16-15(17,18)20-12-5-2-9(3-6-12)13-7-10-1-4-11(19)8-14(10)21-13/h1-8,19H
InChIKeyBGGFDBZAVDNULF-UHFFFAOYSA-N
XLogP5.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.30
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-[4-(trifluoromethoxy)phenyl]-1-benzothiophene
CID 90343137
2-phenyl-1-benzothiophen-6-ol
CID 11117751
2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol
CID 57052258
3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol
CID 54570273
2-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
CID 11681177
4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline
CID 46947162
ethane;3-(trifluoromethoxy)phenol
CID 143201974
2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
[3-[4-(4-amino-1,3-thiazol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-[2-methyl-4-(trifluoromethoxy)phenyl]methanone
CID 139404083
3-(4-tert-butylphenoxy)-5-[4-(trifluoromethoxy)phenyl]phenol
CID 58008384
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-6-propyl-1-benzothiophene
CID 134408697
2,6-bis(4-naphthalen-2-ylphenyl)thieno[2,3-f][1]benzothiole
CID 156519650

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-6-ol?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-6-ol (CID 146526475) is 2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-6-ol.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-6-ol?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-6-ol is Oc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)sc2c1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-6-ol?
The InChIKey is BGGFDBZAVDNULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O2S/c16-15(17,18)20-12-5-2-9(3-6-12)13-7-10-1-4-11(19)8-14(10)21-13/h1-8,19H.
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-6-ol?
2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-6-ol has a molecular weight of 310.30 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-6-ol is sourced from PubChem (CID 146526475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).