ethyl 2-(4-phenylthiophen-2-yl)acetate

C14H14O2S — CID 102223582

IUPACethyl 2-(4-phenylthiophen-2-yl)acetate
SMILESCCOC(=O)Cc1cc(-c2ccccc2)cs1
InChIInChI=1S/C14H14O2S/c1-2-16-14(15)9-13-8-12(10-17-13)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3
InChIKeyDGQSNWPVIVDYDS-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.52
Rot. Bonds4

About ethyl 2-(4-phenylthiophen-2-yl)acetate

ethyl 2-(4-phenylthiophen-2-yl)acetate (PubChem CID 102223582) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is ethyl 2-(4-phenylthiophen-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-phenylthiophen-2-yl)acetate
PubChem CID102223582
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Nameethyl 2-(4-phenylthiophen-2-yl)acetate
SMILESCCOC(=O)Cc1cc(-c2ccccc2)cs1
InChIInChI=1S/C14H14O2S/c1-2-16-14(15)9-13-8-12(10-17-13)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3
InChIKeyDGQSNWPVIVDYDS-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzo[b]thiophene-3-acetic acid
CID 70799
RP 66153
CID 132425
Suprofen methyl ester
CID 3642305
Idph 8261
CID 130978
2,2'-(5-(5-(3-Hydroxyprop-1-Yn-1-Yl)thiophen-2-Yl)-1,3-Phenylene)diacetic Acid
CID 118797901
7-[2-(3-Phenyl-propyl)-thiophen-3-yl]-heptanoic acid
CID 15666577
7-[5-Methyl-2-(3-phenyl-propyl)-thiophen-3-yl]-heptanoic acid
CID 15666586
7-[3-(3-Phenyl-propyl)-thiophen-2-yl]-heptanoic acid
CID 15666603
Benzeneacetic acid, alpha-methyl-3-(2-thienylcarbonyl)-
CID 3040656
1-(Thiophen-2-yl)cyclohexane-1-carboxylic acid
CID 820724
3-Methylbenzo[b]thiophene-2-acetic acid
CID 2779867
Ethyl (4-(methylthio)phenyl)acetate
CID 10512649

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-phenylthiophen-2-yl)acetate?
The IUPAC name of ethyl 2-(4-phenylthiophen-2-yl)acetate (CID 102223582) is ethyl 2-(4-phenylthiophen-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-phenylthiophen-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-phenylthiophen-2-yl)acetate is CCOC(=O)Cc1cc(-c2ccccc2)cs1.
What is the InChIKey of ethyl 2-(4-phenylthiophen-2-yl)acetate?
The InChIKey is DGQSNWPVIVDYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-2-16-14(15)9-13-8-12(10-17-13)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3.
What are the key properties of ethyl 2-(4-phenylthiophen-2-yl)acetate?
ethyl 2-(4-phenylthiophen-2-yl)acetate has a molecular weight of 246.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-phenylthiophen-2-yl)acetate is sourced from PubChem (CID 102223582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).