2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone

C18H13FO2S — CID 160514462

IUPAC2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)c1ccc(-c2ccc(O)cc2)s1
InChIInChI=1S/C18H13FO2S/c19-14-3-1-2-12(10-14)11-16(21)18-9-8-17(22-18)13-4-6-15(20)7-5-13/h1-10,20H,11H2
InChIKeyQTLSRZIDBHZOKM-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.69
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone

2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone (PubChem CID 160514462) has the molecular formula C18H13FO2S and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone
PubChem CID160514462
Molecular FormulaC18H13FO2S
Molecular Weight312.37 g/mol
Exact Mass312.06
IUPAC Name2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)c1ccc(-c2ccc(O)cc2)s1
InChIInChI=1S/C18H13FO2S/c19-14-3-1-2-12(10-14)11-16(21)18-9-8-17(22-18)13-4-6-15(20)7-5-13/h1-10,20H,11H2
InChIKeyQTLSRZIDBHZOKM-UHFFFAOYSA-N
XLogP4.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61078975
1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61406420
1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 162208800
1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone
CID 159241460
5-(1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide
CID 46083037
1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone
CID 157061659
1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone
CID 105405260
2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone
CID 155354849
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
fluoro 2-(3-fluorophenyl)acetate
CID 144594413

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone (CID 160514462) is 2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone is O=C(Cc1cccc(F)c1)c1ccc(-c2ccc(O)cc2)s1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone?
The InChIKey is QTLSRZIDBHZOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO2S/c19-14-3-1-2-12(10-14)11-16(21)18-9-8-17(22-18)13-4-6-15(20)7-5-13/h1-10,20H,11H2.
What are the key properties of 2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone?
2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone has a molecular weight of 312.37 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 160514462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).