1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone

C15H12ClFO2S — CID 66072256

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone
SMILESCOc1ccc(Cl)cc1C(=O)CSc1cccc(F)c1
InChIInChI=1S/C15H12ClFO2S/c1-19-15-6-5-10(16)7-13(15)14(18)9-20-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3
InChIKeyWELBMWHMUYUKEL-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.46
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone

1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone (PubChem CID 66072256) has the molecular formula C15H12ClFO2S and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone
PubChem CID66072256
Molecular FormulaC15H12ClFO2S
Molecular Weight310.78 g/mol
Exact Mass310.02
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone
SMILESCOc1ccc(Cl)cc1C(=O)CSc1cccc(F)c1
InChIInChI=1S/C15H12ClFO2S/c1-19-15-6-5-10(16)7-13(15)14(18)9-20-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3
InChIKeyWELBMWHMUYUKEL-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43426355
1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
CID 66095674
2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824
1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 104793473
N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 19299824
2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone
CID 91880258
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
1-(4-fluoro-3-methylphenyl)-2-(3-fluorophenyl)sulfanylethanone
CID 66072671
1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)prop-2-en-1-one
CID 139678151
1-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 864613
1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone
CID 82808492
2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43220181

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone (CID 66072256) is 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone is COc1ccc(Cl)cc1C(=O)CSc1cccc(F)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone?
The InChIKey is WELBMWHMUYUKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2S/c1-19-15-6-5-10(16)7-13(15)14(18)9-20-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone?
1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone has a molecular weight of 310.78 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone is sourced from PubChem (CID 66072256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).