[2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone

C12H7F3O3S — CID 58753930

IUPAC[2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C12H7F3O3S/c13-12(14,15)18-7-3-4-9(16)8(6-7)11(17)10-2-1-5-19-10/h1-6,16H
InChIKeySCLZXBQESWJYTJ-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.58
Rot. Bonds3

About [2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone

[2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone (PubChem CID 58753930) has the molecular formula C12H7F3O3S and a molecular weight of 288.25 g/mol. Its IUPAC name is [2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone
PubChem CID58753930
Molecular FormulaC12H7F3O3S
Molecular Weight288.25 g/mol
Exact Mass288.01
IUPAC Name[2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C12H7F3O3S/c13-12(14,15)18-7-3-4-9(16)8(6-7)11(17)10-2-1-5-19-10/h1-6,16H
InChIKeySCLZXBQESWJYTJ-UHFFFAOYSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 116628410
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
CID 134639003
2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone
CID 170998248
N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide
CID 25225801
[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
CID 5082064
2-bromo-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134619101
(2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate
CID 7442140
2-[(S)-amino(thiophen-2-yl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210148
(2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone
CID 5151105
[4-bromo-2-(trifluoromethyl)phenyl]-thiophen-2-ylmethanone
CID 62690339
methyl 3-[2-methyl-4-[3-[2-(thiophene-2-carbonyl)-4-(trifluoromethoxy)phenoxy]butoxy]phenyl]propanoate
CID 58753765

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone?
The IUPAC name of [2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone (CID 58753930) is [2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone is O=C(c1cccs1)c1cc(OC(F)(F)F)ccc1O.
What is the InChIKey of [2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone?
The InChIKey is SCLZXBQESWJYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O3S/c13-12(14,15)18-7-3-4-9(16)8(6-7)11(17)10-2-1-5-19-10/h1-6,16H.
What are the key properties of [2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone?
[2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone has a molecular weight of 288.25 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone is sourced from PubChem (CID 58753930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).