ethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate

C15H18O4S — CID 139076357

IUPACethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate
SMILESCCOC(=O)Cc1oc2ccc(C)cc2c1[S@](=O)CC
InChIInChI=1S/C15H18O4S/c1-4-18-14(16)9-13-15(20(17)5-2)11-8-10(3)6-7-12(11)19-13/h6-8H,4-5,9H2,1-3H3/t20-/m1/s1
InChIKeyVZEWKTPDZJVLOD-HXUWFJFHSA-N
MW294.37 g/mol
LogP2.97
Rot. Bonds5

About ethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate

ethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate (PubChem CID 139076357) has the molecular formula C15H18O4S and a molecular weight of 294.37 g/mol. Its IUPAC name is ethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate
PubChem CID139076357
Molecular FormulaC15H18O4S
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Nameethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate
SMILESCCOC(=O)Cc1oc2ccc(C)cc2c1[S@](=O)CC
InChIInChI=1S/C15H18O4S/c1-4-18-14(16)9-13-15(20(17)5-2)11-8-10(3)6-7-12(11)19-13/h6-8H,4-5,9H2,1-3H3/t20-/m1/s1
InChIKeyVZEWKTPDZJVLOD-HXUWFJFHSA-N
XLogP2.97
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-bromo-3-ethylsulfinyl-1-benzofuran-2-yl)acetate
CID 90755134
ethyl 2-(5-iodo-3-methylsulfinyl-1-benzofuran-2-yl)acetate
CID 91427944
2-(5-methyl-3-methylsulfinyl-1-benzofuran-2-yl)acetic acid
CID 91513407
ethyl 2-(2-bromo-5-methyl-1-benzofuran-3-yl)acetate
CID 156620506
propyl 2-[5-chloro-3-[(S)-methylsulfinyl]-1-benzofuran-2-yl]acetate
CID 139076122
ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate
CID 138539367
ethyl 2-(5-amino-2-methyl-1-benzofuran-3-yl)acetate
CID 89265428
ethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate
CID 11219152
2-ethyl-5-methyl-1-benzofuran-3-amine
CID 82372673
2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran
CID 139071712
ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate
CID 134632289
ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate
CID 91665749

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate?
The IUPAC name of ethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate (CID 139076357) is ethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate is CCOC(=O)Cc1oc2ccc(C)cc2c1[S@](=O)CC.
What is the InChIKey of ethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate?
The InChIKey is VZEWKTPDZJVLOD-HXUWFJFHSA-N. The full InChI is InChI=1S/C15H18O4S/c1-4-18-14(16)9-13-15(20(17)5-2)11-8-10(3)6-7-12(11)19-13/h6-8H,4-5,9H2,1-3H3/t20-/m1/s1.
What are the key properties of ethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate?
ethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate has a molecular weight of 294.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate is sourced from PubChem (CID 139076357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).