2-(3-thiophen-2-yloxolan-3-yl)acetic acid

C10H12O3S — CID 83821135

IUPAC2-(3-thiophen-2-yloxolan-3-yl)acetic acid
SMILESO=C(O)CC1(c2cccs2)CCOC1
InChIInChI=1S/C10H12O3S/c11-9(12)6-10(3-4-13-7-10)8-2-1-5-14-8/h1-2,5H,3-4,6-7H2,(H,11,12)
InChIKeyKXRRFBAXZLXOMF-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.88
Rot. Bonds3

About 2-(3-thiophen-2-yloxolan-3-yl)acetic acid

2-(3-thiophen-2-yloxolan-3-yl)acetic acid (PubChem CID 83821135) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(3-thiophen-2-yloxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-thiophen-2-yloxolan-3-yl)acetic acid
PubChem CID83821135
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name2-(3-thiophen-2-yloxolan-3-yl)acetic acid
SMILESO=C(O)CC1(c2cccs2)CCOC1
InChIInChI=1S/C10H12O3S/c11-9(12)6-10(3-4-13-7-10)8-2-1-5-14-8/h1-2,5H,3-4,6-7H2,(H,11,12)
InChIKeyKXRRFBAXZLXOMF-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-pyridin-4-yloxolan-3-yl)acetic acid
CID 83820200
N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
CID 30943585
3-thiophen-2-yloxolan-3-ol
CID 63331558
2-(4-thiophen-2-yloxan-4-yl)ethanamine
CID 83820999
4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943798
2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid
CID 83823159
N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
CID 62594784
2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide
CID 71806744
2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943783
(1-thiophen-2-ylcyclobutyl)methanol
CID 83682682
3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid
CID 63774395
N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806746

Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-yloxolan-3-yl)acetic acid?
The IUPAC name of 2-(3-thiophen-2-yloxolan-3-yl)acetic acid (CID 83821135) is 2-(3-thiophen-2-yloxolan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-thiophen-2-yloxolan-3-yl)acetic acid?
The canonical SMILES for 2-(3-thiophen-2-yloxolan-3-yl)acetic acid is O=C(O)CC1(c2cccs2)CCOC1.
What is the InChIKey of 2-(3-thiophen-2-yloxolan-3-yl)acetic acid?
The InChIKey is KXRRFBAXZLXOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c11-9(12)6-10(3-4-13-7-10)8-2-1-5-14-8/h1-2,5H,3-4,6-7H2,(H,11,12).
What are the key properties of 2-(3-thiophen-2-yloxolan-3-yl)acetic acid?
2-(3-thiophen-2-yloxolan-3-yl)acetic acid has a molecular weight of 212.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-yloxolan-3-yl)acetic acid is sourced from PubChem (CID 83821135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).