methyl 4-(3-ethylphenyl)thiophene-2-carboxylate

C14H14O2S — CID 174626867

IUPACmethyl 4-(3-ethylphenyl)thiophene-2-carboxylate
SMILESCCc1cccc(-c2csc(C(=O)OC)c2)c1
InChIInChI=1S/C14H14O2S/c1-3-10-5-4-6-11(7-10)12-8-13(17-9-12)14(15)16-2/h4-9H,3H2,1-2H3
InChIKeyVXLHCSHVZDMQDW-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.76
Rot. Bonds3

About methyl 4-(3-ethylphenyl)thiophene-2-carboxylate

methyl 4-(3-ethylphenyl)thiophene-2-carboxylate (PubChem CID 174626867) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is methyl 4-(3-ethylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-ethylphenyl)thiophene-2-carboxylate
PubChem CID174626867
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Namemethyl 4-(3-ethylphenyl)thiophene-2-carboxylate
SMILESCCc1cccc(-c2csc(C(=O)OC)c2)c1
InChIInChI=1S/C14H14O2S/c1-3-10-5-4-6-11(7-10)12-8-13(17-9-12)14(15)16-2/h4-9H,3H2,1-2H3
InChIKeyVXLHCSHVZDMQDW-UHFFFAOYSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
CID 22305443
ethane;methyl 4-ethylthiophene-2-carboxylate
CID 143588427
methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate
CID 53217994
methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate
CID 53221429
methyl 4-(4-methoxy-3-nitrophenyl)thiophene-2-carboxylate
CID 166086486
(2S)-2-amino-2-[4-(5-methoxycarbonylthiophen-3-yl)phenyl]acetic acid
CID 66513184
methyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate
CID 53217992
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen
CID 176579358
methyl 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzoate
CID 54449983
1-ethyl-3-phenylbenzene;propane
CID 145466525
4-(3-ethylphenyl)benzamide
CID 54454087

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-ethylphenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-(3-ethylphenyl)thiophene-2-carboxylate (CID 174626867) is methyl 4-(3-ethylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-(3-ethylphenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-(3-ethylphenyl)thiophene-2-carboxylate is CCc1cccc(-c2csc(C(=O)OC)c2)c1.
What is the InChIKey of methyl 4-(3-ethylphenyl)thiophene-2-carboxylate?
The InChIKey is VXLHCSHVZDMQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-3-10-5-4-6-11(7-10)12-8-13(17-9-12)14(15)16-2/h4-9H,3H2,1-2H3.
What are the key properties of methyl 4-(3-ethylphenyl)thiophene-2-carboxylate?
methyl 4-(3-ethylphenyl)thiophene-2-carboxylate has a molecular weight of 246.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-ethylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 174626867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).