2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid

C12H16O3S — CID 65497413

IUPAC2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(COCCc2cccs2)CC1
InChIInChI=1S/C12H16O3S/c13-11(14)8-12(4-5-12)9-15-6-3-10-2-1-7-16-10/h1-2,7H,3-6,8-9H2,(H,13,14)
InChIKeyXYJBCAQVBQDSKX-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.56
Rot. Bonds7

About 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid

2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid (PubChem CID 65497413) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid
PubChem CID65497413
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(COCCc2cccs2)CC1
InChIInChI=1S/C12H16O3S/c13-11(14)8-12(4-5-12)9-15-6-3-10-2-1-7-16-10/h1-2,7H,3-6,8-9H2,(H,13,14)
InChIKeyXYJBCAQVBQDSKX-UHFFFAOYSA-N
XLogP2.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile
CID 65494698
2-[1-[(3-thiophen-2-ylpropanoylamino)methyl]cyclobutyl]acetic acid
CID 81164192
2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid
CID 65497379
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133
2-(2-thiophen-2-ylethoxy)acetohydrazide
CID 63571119
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide
CID 65494634
3-methyl-4-(2-thiophen-2-ylethoxy)but-2-enoic acid
CID 76974991
2-thiophen-2-ylethyl nitrate
CID 54344199
ethyl 2-[1-(2-thiophen-2-ylethyl)cyclopentyl]acetate
CID 10778190
5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid
CID 62268855
4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid
CID 63774592

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid (CID 65497413) is 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid is O=C(O)CC1(COCCc2cccs2)CC1.
What is the InChIKey of 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid?
The InChIKey is XYJBCAQVBQDSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S/c13-11(14)8-12(4-5-12)9-15-6-3-10-2-1-7-16-10/h1-2,7H,3-6,8-9H2,(H,13,14).
What are the key properties of 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid?
2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid has a molecular weight of 240.32 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 65497413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).