methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate

C16H16O3S — CID 103173087

IUPACmethyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1-c1cccc(OC2CC2)c1
InChIInChI=1S/C16H16O3S/c1-10-9-20-15(16(17)18-2)14(10)11-4-3-5-13(8-11)19-12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3
InChIKeyIJOAKBGNOMUCMA-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.05
Rot. Bonds4

About methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate

methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate (PubChem CID 103173087) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate
PubChem CID103173087
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Namemethyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1-c1cccc(OC2CC2)c1
InChIInChI=1S/C16H16O3S/c1-10-9-20-15(16(17)18-2)14(10)11-4-3-5-13(8-11)19-12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3
InChIKeyIJOAKBGNOMUCMA-UHFFFAOYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172925
methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate
CID 103172898
4-(3-cyclopropyloxyphenyl)-2-methylphenol
CID 114523617
methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate
CID 103172987
3-(3-cyclopropyloxyphenyl)-2-methylbenzoic acid
CID 114522408
5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid
CID 114522421
methyl 3-[4-(difluoromethylsulfanyl)phenyl]-4-methylthiophene-2-carboxylate
CID 103172914
methyl 3-(2,3-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxylate
CID 107514017
methyl 3-(3-aminocyclohexyl)oxybenzoate
CID 117053613
1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one
CID 114522522
4-(3-cyclopropyloxyphenyl)-1,3-thiazol-2-amine
CID 154668725
1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101390

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate (CID 103173087) is methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1-c1cccc(OC2CC2)c1.
What is the InChIKey of methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate?
The InChIKey is IJOAKBGNOMUCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c1-10-9-20-15(16(17)18-2)14(10)11-4-3-5-13(8-11)19-12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3.
What are the key properties of methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate?
methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate has a molecular weight of 288.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 103173087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).