ethyl 2-methoxy-4-methylsulfanylbenzoate

C11H14O3S — CID 720776

IUPACethyl 2-methoxy-4-methylsulfanylbenzoate
SMILESCCOC(=O)c1ccc(SC)cc1OC
InChIInChI=1S/C11H14O3S/c1-4-14-11(12)9-6-5-8(15-3)7-10(9)13-2/h5-7H,4H2,1-3H3
InChIKeyRLAOLSFGNWRDJW-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.59
Rot. Bonds4

About ethyl 2-methoxy-4-methylsulfanylbenzoate

ethyl 2-methoxy-4-methylsulfanylbenzoate (PubChem CID 720776) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is ethyl 2-methoxy-4-methylsulfanylbenzoate.

Molecular Properties

Compound Nameethyl 2-methoxy-4-methylsulfanylbenzoate
PubChem CID720776
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Nameethyl 2-methoxy-4-methylsulfanylbenzoate
SMILESCCOC(=O)c1ccc(SC)cc1OC
InChIInChI=1S/C11H14O3S/c1-4-14-11(12)9-6-5-8(15-3)7-10(9)13-2/h5-7H,4H2,1-3H3
InChIKeyRLAOLSFGNWRDJW-UHFFFAOYSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-Methoxybenzoate
CID 61151
Ethyl 2-Methoxybenzoate
CID 81784
Benzoic acid, 2-ethoxy-, ethyl ester
CID 221644
Methyl 5-(ethylsulphonyl)-o-anisate
CID 6454351
4-(Methylthio)-o-anisic acid
CID 643329
2-(4-Methylsulfanylphenyl)chromen-4-one
CID 3245800
Butyl 2-methoxybenzoate
CID 222469
Benzoic acid, 2-methoxy-, pentyl ester
CID 89799
Benzyl 2-methoxybenzoate
CID 584904
5-Mesyl-o-anisic acid
CID 170840
Methyl 5-mesyl-o-anisate
CID 6454622
6-(Methylsulfanyl)-2,3-dihydro-1-benzofuran-3-one
CID 13556141

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-4-methylsulfanylbenzoate?
The IUPAC name of ethyl 2-methoxy-4-methylsulfanylbenzoate (CID 720776) is ethyl 2-methoxy-4-methylsulfanylbenzoate.
What is the SMILES notation for ethyl 2-methoxy-4-methylsulfanylbenzoate?
The canonical SMILES for ethyl 2-methoxy-4-methylsulfanylbenzoate is CCOC(=O)c1ccc(SC)cc1OC.
What is the InChIKey of ethyl 2-methoxy-4-methylsulfanylbenzoate?
The InChIKey is RLAOLSFGNWRDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-4-14-11(12)9-6-5-8(15-3)7-10(9)13-2/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 2-methoxy-4-methylsulfanylbenzoate?
ethyl 2-methoxy-4-methylsulfanylbenzoate has a molecular weight of 226.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-4-methylsulfanylbenzoate is sourced from PubChem (CID 720776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).