methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate

C16H16O5S — CID 167967974

IUPACmethyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate
SMILESCOC(=O)Cc1ccc(OCc2csc(C(=O)OC)c2)cc1
InChIInChI=1S/C16H16O5S/c1-19-15(17)8-11-3-5-13(6-4-11)21-9-12-7-14(22-10-12)16(18)20-2/h3-7,10H,8-9H2,1-2H3
InChIKeyZRKCFSJBMDKHPG-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.83
Rot. Bonds6

About methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate

methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate (PubChem CID 167967974) has the molecular formula C16H16O5S and a molecular weight of 320.37 g/mol. Its IUPAC name is methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate
PubChem CID167967974
Molecular FormulaC16H16O5S
Molecular Weight320.37 g/mol
Exact Mass320.07
IUPAC Namemethyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate
SMILESCOC(=O)Cc1ccc(OCc2csc(C(=O)OC)c2)cc1
InChIInChI=1S/C16H16O5S/c1-19-15(17)8-11-3-5-13(6-4-11)21-9-12-7-14(22-10-12)16(18)20-2/h3-7,10H,8-9H2,1-2H3
InChIKeyZRKCFSJBMDKHPG-UHFFFAOYSA-N
XLogP2.83
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471527
4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid
CID 19620562
4-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620576
ethane;methyl 4-ethylthiophene-2-carboxylate
CID 143588427
N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469568
N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471460
4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66436440
N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499174
N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499225
[4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
CID 19499165
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate (CID 167967974) is methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate is COC(=O)Cc1ccc(OCc2csc(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate?
The InChIKey is ZRKCFSJBMDKHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5S/c1-19-15(17)8-11-3-5-13(6-4-11)21-9-12-7-14(22-10-12)16(18)20-2/h3-7,10H,8-9H2,1-2H3.
What are the key properties of methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate?
methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate is sourced from PubChem (CID 167967974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).