2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone

C14H10F2O2S — CID 43226491

IUPAC2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone
SMILESO=C(CSc1ccc(F)cc1F)c1ccc(O)cc1
InChIInChI=1S/C14H10F2O2S/c15-10-3-6-14(12(16)7-10)19-8-13(18)9-1-4-11(17)5-2-9/h1-7,17H,8H2
InChIKeyMYHNDUJWDXYSKW-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.65
Rot. Bonds4

About 2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone

2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone (PubChem CID 43226491) has the molecular formula C14H10F2O2S and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone
PubChem CID43226491
Molecular FormulaC14H10F2O2S
Molecular Weight280.30 g/mol
Exact Mass280.04
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone
SMILESO=C(CSc1ccc(F)cc1F)c1ccc(O)cc1
InChIInChI=1S/C14H10F2O2S/c15-10-3-6-14(12(16)7-10)19-8-13(18)9-1-4-11(17)5-2-9/h1-7,17H,8H2
InChIKeyMYHNDUJWDXYSKW-UHFFFAOYSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone
CID 55393499
N-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide
CID 8837263
2-(2,4-difluorophenyl)sulfanylacetate
CID 7129456
2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824
1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone
CID 43226528
2-(2,4-difluorophenyl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 43224802
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
CID 43224827
1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene
CID 131219284
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43412043
2-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 43412234
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919914

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone (CID 43226491) is 2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone is O=C(CSc1ccc(F)cc1F)c1ccc(O)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone?
The InChIKey is MYHNDUJWDXYSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2S/c15-10-3-6-14(12(16)7-10)19-8-13(18)9-1-4-11(17)5-2-9/h1-7,17H,8H2.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone?
2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone has a molecular weight of 280.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 43226491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).