1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone

C15H13FO2S — CID 82808492

IUPAC1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone
SMILESCOc1cccc(C(=O)CSc2ccccc2)c1F
InChIInChI=1S/C15H13FO2S/c1-18-14-9-5-8-12(15(14)16)13(17)10-19-11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyKAVXXYATJZAFCB-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.81
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone

1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone (PubChem CID 82808492) has the molecular formula C15H13FO2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone
PubChem CID82808492
Molecular FormulaC15H13FO2S
Molecular Weight276.33 g/mol
Exact Mass276.06
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone
SMILESCOc1cccc(C(=O)CSc2ccccc2)c1F
InChIInChI=1S/C15H13FO2S/c1-18-14-9-5-8-12(15(14)16)13(17)10-19-11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyKAVXXYATJZAFCB-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
CID 103458248
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218865
3-bromo-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 134658322
2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22780728
2-phenylsulfanyl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191547
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43426355
2-methoxy-5-(2-phenylsulfanylacetyl)benzoic acid
CID 82052354
1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 116810019
1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone
CID 66072256
(E)-4-[3-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18894838
1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 91880247

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone (CID 82808492) is 1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone is COc1cccc(C(=O)CSc2ccccc2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone?
The InChIKey is KAVXXYATJZAFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2S/c1-18-14-9-5-8-12(15(14)16)13(17)10-19-11-6-3-2-4-7-11/h2-9H,10H2,1H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone?
1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone has a molecular weight of 276.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone is sourced from PubChem (CID 82808492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).