methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate

C15H14O3S — CID 75210644

IUPACmethyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate
SMILESCOC(=O)c1c(C=Cc2cccs2)cccc1OC
InChIInChI=1S/C15H14O3S/c1-17-13-7-3-5-11(14(13)15(16)18-2)8-9-12-6-4-10-19-12/h3-10H,1-2H3
InChIKeyAQOZDKDUZBMCOB-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.71
Rot. Bonds4

About methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate

methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate (PubChem CID 75210644) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate
PubChem CID75210644
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Namemethyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate
SMILESCOC(=O)c1c(C=Cc2cccs2)cccc1OC
InChIInChI=1S/C15H14O3S/c1-17-13-7-3-5-11(14(13)15(16)18-2)8-9-12-6-4-10-19-12/h3-10H,1-2H3
InChIKeyAQOZDKDUZBMCOB-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-formyl-6-methoxybenzoate
CID 12730360
methyl 2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-(2-thiophen-2-ylethenyl)benzoate
CID 123638815
methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate
CID 155479747
methyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate
CID 46735402
N-[3-[(E)-2-thiophen-2-ylethenyl]thiophen-2-yl]acetamide
CID 12666433
methyl 2-methoxy-6-pentadec-1-enylbenzoate
CID 68929291
methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate
CID 162787640
methyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate
CID 122136157
methyl 2-methoxy-6-methoxycarbonyloxybenzoate
CID 174850482
methyl 2-methoxy-6-[(E)-6-phenylhex-1-enyl]benzoate
CID 46735447
(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 887907
methyl 4-(4-fluorophenyl)-2-(3-thiophen-2-ylprop-2-enoylamino)thiophene-3-carboxylate
CID 3523738

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate?
The IUPAC name of methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate (CID 75210644) is methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate.
What is the SMILES notation for methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate?
The canonical SMILES for methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate is COC(=O)c1c(C=Cc2cccs2)cccc1OC.
What is the InChIKey of methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate?
The InChIKey is AQOZDKDUZBMCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-17-13-7-3-5-11(14(13)15(16)18-2)8-9-12-6-4-10-19-12/h3-10H,1-2H3.
What are the key properties of methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate?
methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate has a molecular weight of 274.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate is sourced from PubChem (CID 75210644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).