methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate

C15H13FO2S — CID 143289095

IUPACmethyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate
SMILESCOC(=O)c1cc(SC)ccc1-c1cccc(F)c1
InChIInChI=1S/C15H13FO2S/c1-18-15(17)14-9-12(19-2)6-7-13(14)10-4-3-5-11(16)8-10/h3-9H,1-2H3
InChIKeyDJLXVRPRDNIJBA-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.00
Rot. Bonds3

About methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate

methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate (PubChem CID 143289095) has the molecular formula C15H13FO2S and a molecular weight of 276.33 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate
PubChem CID143289095
Molecular FormulaC15H13FO2S
Molecular Weight276.33 g/mol
Exact Mass276.06
IUPAC Namemethyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate
SMILESCOC(=O)c1cc(SC)ccc1-c1cccc(F)c1
InChIInChI=1S/C15H13FO2S/c1-18-15(17)14-9-12(19-2)6-7-13(14)10-4-3-5-11(16)8-10/h3-9H,1-2H3
InChIKeyDJLXVRPRDNIJBA-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
methyl 2-amino-5-methylsulfanylbenzoate
CID 12719204
methyl 2-ethyl-5-methylsulfanylbenzoate
CID 91880894
methyl 5-fluoro-2-naphthalen-1-ylbenzoate
CID 141376687
6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid
CID 97181116
methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate
CID 134635148
methyl 6-cyano-5-fluoro-2-(3-fluorophenyl)pyridine-3-carboxylate
CID 66993018
methyl 2-fluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzoate
CID 103749703
methyl 3-fluorobenzoate
CID 521184
2-(3-fluorophenyl)-N-hydroxybenzamide
CID 1393554
methyl 3-[(4-methylsulfanylphenyl)methylsulfanyl]benzoate
CID 121005395
methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate?
The IUPAC name of methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate (CID 143289095) is methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate?
The canonical SMILES for methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate is COC(=O)c1cc(SC)ccc1-c1cccc(F)c1.
What is the InChIKey of methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate?
The InChIKey is DJLXVRPRDNIJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2S/c1-18-15(17)14-9-12(19-2)6-7-13(14)10-4-3-5-11(16)8-10/h3-9H,1-2H3.
What are the key properties of methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate?
methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate has a molecular weight of 276.33 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate is sourced from PubChem (CID 143289095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).