1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone

C13H11FO3S — CID 114000859

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone
SMILESCc1occc1SCC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H11FO3S/c1-8-13(4-5-17-8)18-7-12(16)10-6-9(14)2-3-11(10)15/h2-6,15H,7H2,1H3
InChIKeyWLJZRQBIWZYXNW-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.41
Rot. Bonds4

About 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone

1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone (PubChem CID 114000859) has the molecular formula C13H11FO3S and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone
PubChem CID114000859
Molecular FormulaC13H11FO3S
Molecular Weight266.29 g/mol
Exact Mass266.04
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone
SMILESCc1occc1SCC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H11FO3S/c1-8-13(4-5-17-8)18-7-12(16)10-6-9(14)2-3-11(10)15/h2-6,15H,7H2,1H3
InChIKeyWLJZRQBIWZYXNW-UHFFFAOYSA-N
XLogP3.41
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone
CID 107781186
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 60779168
1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone
CID 43801526
1-(4-fluorophenyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-one
CID 107781225
3-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 62884653
2-(2-methylfuran-3-yl)sulfanyl-1-(1-methylpyrrol-2-yl)ethanone
CID 86799287
2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824
1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 62770713
trifluoro-[3-(2-methylfuran-3-yl)sulfanylprop-1-en-2-yl]boranuide
CID 107781463
2-(2-methylfuran-3-yl)sulfanyl-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 114000873
1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione
CID 43138932
1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone
CID 43220232

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone (CID 114000859) is 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone is Cc1occc1SCC(=O)c1cc(F)ccc1O.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone?
The InChIKey is WLJZRQBIWZYXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3S/c1-8-13(4-5-17-8)18-7-12(16)10-6-9(14)2-3-11(10)15/h2-6,15H,7H2,1H3.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone has a molecular weight of 266.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone is sourced from PubChem (CID 114000859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).