2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid

C12H12O3S — CID 15571614

IUPAC2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C12H12O3S/c13-12(14)9(7-10-3-1-5-15-10)8-11-4-2-6-16-11/h1-6,9H,7-8H2,(H,13,14)
InChIKeyVAEGIMWDDQWCQB-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.83
Rot. Bonds5

About 2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid

2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid (PubChem CID 15571614) has the molecular formula C12H12O3S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid
PubChem CID15571614
Molecular FormulaC12H12O3S
Molecular Weight236.29 g/mol
Exact Mass236.05
IUPAC Name2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C12H12O3S/c13-12(14)9(7-10-3-1-5-15-10)8-11-4-2-6-16-11/h1-6,9H,7-8H2,(H,13,14)
InChIKeyVAEGIMWDDQWCQB-UHFFFAOYSA-N
XLogP2.83
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(furan-2-ylmethyl)butanoic acid
CID 38989143
2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794221
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
2-[(3-chlorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60793081
2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794367
2-(furan-2-yl)-1-thiophen-2-ylethanone
CID 83173067
(2S)-2-(azaniumylmethyl)-3-(furan-2-yl)propanoate
CID 42329415
2,3-bis(furan-2-yl)propanoic acid
CID 151762874
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid
CID 63000304
3-oxo-3-(thiophen-2-ylmethoxy)-2-(thiophen-2-ylmethyl)propanoic acid
CID 175411942
4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid
CID 82160128

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid (CID 15571614) is 2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid is O=C(O)C(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid?
The InChIKey is VAEGIMWDDQWCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3S/c13-12(14)9(7-10-3-1-5-15-10)8-11-4-2-6-16-11/h1-6,9H,7-8H2,(H,13,14).
What are the key properties of 2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid?
2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid has a molecular weight of 236.29 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 15571614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).