ethyl 2-[5-(4-methylphenyl)thiophen-2-yl]pentanoate

C18H22O2S — CID 141010217

IUPACethyl 2-[5-(4-methylphenyl)thiophen-2-yl]pentanoate
SMILESCCCC(C(=O)OCC)c1ccc(-c2ccc(C)cc2)s1
InChIInChI=1S/C18H22O2S/c1-4-6-15(18(19)20-5-2)17-12-11-16(21-17)14-9-7-13(3)8-10-14/h7-12,15H,4-6H2,1-3H3
InChIKeySUOAPJOVODSVLN-UHFFFAOYSA-N
MW302.44 g/mol
LogP5.17
Rot. Bonds6

About ethyl 2-[5-(4-methylphenyl)thiophen-2-yl]pentanoate

ethyl 2-[5-(4-methylphenyl)thiophen-2-yl]pentanoate (PubChem CID 141010217) has the molecular formula C18H22O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is ethyl 2-[5-(4-methylphenyl)thiophen-2-yl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[5-(4-methylphenyl)thiophen-2-yl]pentanoate
PubChem CID141010217
Molecular FormulaC18H22O2S
Molecular Weight302.44 g/mol
Exact Mass302.13
IUPAC Nameethyl 2-[5-(4-methylphenyl)thiophen-2-yl]pentanoate
SMILESCCCC(C(=O)OCC)c1ccc(-c2ccc(C)cc2)s1
InChIInChI=1S/C18H22O2S/c1-4-6-15(18(19)20-5-2)17-12-11-16(21-17)14-9-7-13(3)8-10-14/h7-12,15H,4-6H2,1-3H3
InChIKeySUOAPJOVODSVLN-UHFFFAOYSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.44
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate
CID 53349061
N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287471
ethyl 2-(5-acetylthiophen-2-yl)butanoate
CID 169140041
2-(4-methylphenyl)pentanamide
CID 91135302
ethyl 2-(5-methyl-1,3-benzothiazol-2-yl)pentanoate
CID 79475451
2-ethoxycarbonylbutanoic acid;1,4-xylene
CID 175242664
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
CID 107586221
ethyl 2-(4-propan-2-ylphenyl)pentanoate
CID 83042532
ethyl (E)-3-[5-(4-methylphenyl)thiophen-2-yl]prop-2-enoate
CID 70958646
1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287473
ethyl 2-(3-bromothiophen-2-yl)pentanoate
CID 83043654
ethyl 4-(5-aminothiophen-2-yl)benzoate
CID 19014273

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(4-methylphenyl)thiophen-2-yl]pentanoate?
The IUPAC name of ethyl 2-[5-(4-methylphenyl)thiophen-2-yl]pentanoate (CID 141010217) is ethyl 2-[5-(4-methylphenyl)thiophen-2-yl]pentanoate.
What is the SMILES notation for ethyl 2-[5-(4-methylphenyl)thiophen-2-yl]pentanoate?
The canonical SMILES for ethyl 2-[5-(4-methylphenyl)thiophen-2-yl]pentanoate is CCCC(C(=O)OCC)c1ccc(-c2ccc(C)cc2)s1.
What is the InChIKey of ethyl 2-[5-(4-methylphenyl)thiophen-2-yl]pentanoate?
The InChIKey is SUOAPJOVODSVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2S/c1-4-6-15(18(19)20-5-2)17-12-11-16(21-17)14-9-7-13(3)8-10-14/h7-12,15H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[5-(4-methylphenyl)thiophen-2-yl]pentanoate?
ethyl 2-[5-(4-methylphenyl)thiophen-2-yl]pentanoate has a molecular weight of 302.44 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(4-methylphenyl)thiophen-2-yl]pentanoate is sourced from PubChem (CID 141010217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).