benzyl 4-thiophen-2-ylbutanoate

C15H16O2S — CID 78759392

IUPACbenzyl 4-thiophen-2-ylbutanoate
SMILESO=C(CCCc1cccs1)OCc1ccccc1
InChIInChI=1S/C15H16O2S/c16-15(10-4-8-14-9-5-11-18-14)17-12-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12H2
InChIKeyDBVBVPQZAZMPOH-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.81
Rot. Bonds6

About benzyl 4-thiophen-2-ylbutanoate

benzyl 4-thiophen-2-ylbutanoate (PubChem CID 78759392) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is benzyl 4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Namebenzyl 4-thiophen-2-ylbutanoate
PubChem CID78759392
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Namebenzyl 4-thiophen-2-ylbutanoate
SMILESO=C(CCCc1cccs1)OCc1ccccc1
InChIInChI=1S/C15H16O2S/c16-15(10-4-8-14-9-5-11-18-14)17-12-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12H2
InChIKeyDBVBVPQZAZMPOH-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylethyl 4-thiophen-2-ylbutanoate
CID 78830677
benzyl 2-(4-thiophen-2-ylbutanoylamino)acetate
CID 7980390
benzyl 4-phenylbutanoate
CID 11961623
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 46465242
benzyl 4-oxo-4-thiophen-2-ylbutanoate
CID 2358378
4-(4-oxo-4-phenylmethoxybutyl)benzoic acid
CID 101218136
benzyl 4-aminobutanoate;hydrochloride
CID 18707498
benzyl 5-hydroxypentanoate
CID 19788674
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
(2-fluorophenyl) 4-thiophen-2-ylbutanoate
CID 78777100
benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate
CID 110818649
azane;benzyl 3-phenylpropanoate
CID 175136325

Frequently Asked Questions

What is the IUPAC name of benzyl 4-thiophen-2-ylbutanoate?
The IUPAC name of benzyl 4-thiophen-2-ylbutanoate (CID 78759392) is benzyl 4-thiophen-2-ylbutanoate.
What is the SMILES notation for benzyl 4-thiophen-2-ylbutanoate?
The canonical SMILES for benzyl 4-thiophen-2-ylbutanoate is O=C(CCCc1cccs1)OCc1ccccc1.
What is the InChIKey of benzyl 4-thiophen-2-ylbutanoate?
The InChIKey is DBVBVPQZAZMPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c16-15(10-4-8-14-9-5-11-18-14)17-12-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12H2.
What are the key properties of benzyl 4-thiophen-2-ylbutanoate?
benzyl 4-thiophen-2-ylbutanoate has a molecular weight of 260.36 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-thiophen-2-ylbutanoate is sourced from PubChem (CID 78759392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).