2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid

C11H14O2S — CID 96614312

IUPAC2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid
SMILESCCc1csc(C2(CC(=O)O)CC2)c1
InChIInChI=1S/C11H14O2S/c1-2-8-5-9(14-7-8)11(3-4-11)6-10(12)13/h5,7H,2-4,6H2,1H3,(H,12,13)
InChIKeyFDOZGBTXPKJHTD-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.82
Rot. Bonds4

About 2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid

2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid (PubChem CID 96614312) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid
PubChem CID96614312
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid
SMILESCCc1csc(C2(CC(=O)O)CC2)c1
InChIInChI=1S/C11H14O2S/c1-2-8-5-9(14-7-8)11(3-4-11)6-10(12)13/h5,7H,2-4,6H2,1H3,(H,12,13)
InChIKeyFDOZGBTXPKJHTD-UHFFFAOYSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid (CID 96614312) is 2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid is CCc1csc(C2(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid?
The InChIKey is FDOZGBTXPKJHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-2-8-5-9(14-7-8)11(3-4-11)6-10(12)13/h5,7H,2-4,6H2,1H3,(H,12,13).
What are the key properties of 2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid?
2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid has a molecular weight of 210.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylthiophen-2-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 96614312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).