methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate

C10H11FO3S — CID 163198181

IUPACmethyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate
SMILESCOC(=O)c1ccc(OC)c(F)c1SC
InChIInChI=1S/C10H11FO3S/c1-13-7-5-4-6(10(12)14-2)9(15-3)8(7)11/h4-5H,1-3H3
InChIKeyFZMSVGKCJLJDAQ-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.34
Rot. Bonds3

About methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate

methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate (PubChem CID 163198181) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate
PubChem CID163198181
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Namemethyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate
SMILESCOC(=O)c1ccc(OC)c(F)c1SC
InChIInChI=1S/C10H11FO3S/c1-13-7-5-4-6(10(12)14-2)9(15-3)8(7)11/h4-5H,1-3H3
InChIKeyFZMSVGKCJLJDAQ-UHFFFAOYSA-N
XLogP2.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-2-fluoro-4-methoxybenzoate
CID 84668671
methyl 3-cyano-2-fluoro-4-methoxybenzoate
CID 134647147
methyl 4-chloro-3-methyl-2-methylsulfanylbenzoate
CID 54088631
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090
methyl 6-bromo-2-fluoro-3-methoxybenzoate
CID 67053695
dimethyl 2-iodo-4-methoxybenzene-1,3-dicarboxylate
CID 121221218
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
methyl 2,5-difluoro-3-methoxybenzoate
CID 130786948
methyl 7-methoxy-1H-benzimidazole-4-carboxylate
CID 22663455
methyl 2-bromo-4-methyl-3-methylsulfanylbenzoate
CID 130139687
methyl 4-(2,2-diethoxyethylsulfanyl)-2-fluoro-3-methylsulfanylbenzoate
CID 22666313
methyl 2-cyano-4-methoxy-3-(trifluoromethylsulfanyl)benzoate
CID 134648088

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate?
The IUPAC name of methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate (CID 163198181) is methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate.
What is the SMILES notation for methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate?
The canonical SMILES for methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate is COC(=O)c1ccc(OC)c(F)c1SC.
What is the InChIKey of methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate?
The InChIKey is FZMSVGKCJLJDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c1-13-7-5-4-6(10(12)14-2)9(15-3)8(7)11/h4-5H,1-3H3.
What are the key properties of methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate?
methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate has a molecular weight of 230.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate is sourced from PubChem (CID 163198181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).