2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one

C16H14F2O2S — CID 43224881

IUPAC2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Sc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H14F2O2S/c1-10(21-15-9-12(17)5-8-14(15)18)16(19)11-3-6-13(20-2)7-4-11/h3-10H,1-2H3
InChIKeySBZYBNWVLATAHS-UHFFFAOYSA-N
MW308.35 g/mol
LogP4.34
Rot. Bonds5

About 2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one

2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one (PubChem CID 43224881) has the molecular formula C16H14F2O2S and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
PubChem CID43224881
Molecular FormulaC16H14F2O2S
Molecular Weight308.35 g/mol
Exact Mass308.07
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Sc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H14F2O2S/c1-10(21-15-9-12(17)5-8-14(15)18)16(19)11-3-6-13(20-2)7-4-11/h3-10H,1-2H3
InChIKeySBZYBNWVLATAHS-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43224877
2-(3,4-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43224954
2-(2,5-difluorophenyl)sulfanylpropanoic acid
CID 16772336
1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one
CID 43224788
2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43232307
1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 43412024
2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43413679
(2S)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one
CID 7300720
(2R)-1-(4-methoxyphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
CID 7820557
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one
CID 102925420
1-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 51140165
1-(3,4-difluorophenyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 4787755

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one (CID 43224881) is 2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)Sc2cc(F)ccc2F)cc1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is SBZYBNWVLATAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2S/c1-10(21-15-9-12(17)5-8-14(15)18)16(19)11-3-6-13(20-2)7-4-11/h3-10H,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one?
2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 308.35 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 43224881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).