2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid

C12H10O3S — CID 56965501

IUPAC2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1-c1ccc(CO)cc1
InChIInChI=1S/C12H10O3S/c13-7-8-1-3-9(4-2-8)11-10(12(14)15)5-6-16-11/h1-6,13H,7H2,(H,14,15)
InChIKeyPIFRZCJCXICBIA-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.61
Rot. Bonds3

About 2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid

2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid (PubChem CID 56965501) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid
PubChem CID56965501
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1-c1ccc(CO)cc1
InChIInChI=1S/C12H10O3S/c13-7-8-1-3-9(4-2-8)11-10(12(14)15)5-6-16-11/h1-6,13H,7H2,(H,14,15)
InChIKeyPIFRZCJCXICBIA-UHFFFAOYSA-N
XLogP2.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid (CID 56965501) is 2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid is O=C(O)c1ccsc1-c1ccc(CO)cc1.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid?
The InChIKey is PIFRZCJCXICBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c13-7-8-1-3-9(4-2-8)11-10(12(14)15)5-6-16-11/h1-6,13H,7H2,(H,14,15).
What are the key properties of 2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid?
2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 56965501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).