methyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate

C13H14O3S — CID 131734521

IUPACmethyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate
SMILESCOC(=O)Cc1csc2c(C)c(OC)ccc12
InChIInChI=1S/C13H14O3S/c1-8-11(15-2)5-4-10-9(6-12(14)16-3)7-17-13(8)10/h4-5,7H,6H2,1-3H3
InChIKeyWDBSENKTVHBDQC-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.93
Rot. Bonds3

About methyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate

methyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate (PubChem CID 131734521) has the molecular formula C13H14O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate
PubChem CID131734521
Molecular FormulaC13H14O3S
Molecular Weight250.32 g/mol
Exact Mass250.07
IUPAC Namemethyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate
SMILESCOC(=O)Cc1csc2c(C)c(OC)ccc12
InChIInChI=1S/C13H14O3S/c1-8-11(15-2)5-4-10-9(6-12(14)16-3)7-17-13(8)10/h4-5,7H,6H2,1-3H3
InChIKeyWDBSENKTVHBDQC-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(6-methyl-1-benzothiophen-3-yl)acetate
CID 58828756
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate
CID 115232790
3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine
CID 131190920
methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate
CID 100929989
methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate
CID 11528816
methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate
CID 15428438
methyl 2-(4,5-dimethoxy-2-thieno[3,2-b]thiophen-6-ylphenyl)acetate
CID 122516757
2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82053664
2-(4-methoxy-2,3-dimethylphenyl)-N-(3-methoxypropyl)acetamide
CID 110769636
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate?
The IUPAC name of methyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate (CID 131734521) is methyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate.
What is the SMILES notation for methyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate?
The canonical SMILES for methyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate is COC(=O)Cc1csc2c(C)c(OC)ccc12.
What is the InChIKey of methyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate?
The InChIKey is WDBSENKTVHBDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3S/c1-8-11(15-2)5-4-10-9(6-12(14)16-3)7-17-13(8)10/h4-5,7H,6H2,1-3H3.
What are the key properties of methyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate?
methyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate has a molecular weight of 250.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate is sourced from PubChem (CID 131734521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).