2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid

C7H8O3S — CID 82885627

IUPAC2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(CO)s1
InChIInChI=1S/C7H8O3S/c8-4-6-2-1-5(11-6)3-7(9)10/h1-2,8H,3-4H2,(H,9,10)
InChIKeyJDBMXRXCWORUBS-UHFFFAOYSA-N
MW172.20 g/mol
LogP0.87
Rot. Bonds3

About 2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid

2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid (PubChem CID 82885627) has the molecular formula C7H8O3S and a molecular weight of 172.20 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid
PubChem CID82885627
Molecular FormulaC7H8O3S
Molecular Weight172.20 g/mol
Exact Mass172.02
IUPAC Name2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(CO)s1
InChIInChI=1S/C7H8O3S/c8-4-6-2-1-5(11-6)3-7(9)10/h1-2,8H,3-4H2,(H,9,10)
InChIKeyJDBMXRXCWORUBS-UHFFFAOYSA-N
XLogP0.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid (CID 82885627) is 2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(CO)s1.
What is the InChIKey of 2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid?
The InChIKey is JDBMXRXCWORUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S/c8-4-6-2-1-5(11-6)3-7(9)10/h1-2,8H,3-4H2,(H,9,10).
What are the key properties of 2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid?
2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid has a molecular weight of 172.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 82885627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).