5-(5-hydroxypent-1-ynyl)thiophene-2-carboxylic acid

C10H10O3S — CID 122241632

IUPAC5-(5-hydroxypent-1-ynyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C#CCCCO)s1
InChIInChI=1S/C10H10O3S/c11-7-3-1-2-4-8-5-6-9(14-8)10(12)13/h5-6,11H,1,3,7H2,(H,12,13)
InChIKeyDGIVMEIAIKDIFU-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.57
Rot. Bonds3

About 5-(5-hydroxypent-1-ynyl)thiophene-2-carboxylic acid

5-(5-hydroxypent-1-ynyl)thiophene-2-carboxylic acid (PubChem CID 122241632) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is 5-(5-hydroxypent-1-ynyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-hydroxypent-1-ynyl)thiophene-2-carboxylic acid
PubChem CID122241632
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name5-(5-hydroxypent-1-ynyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C#CCCCO)s1
InChIInChI=1S/C10H10O3S/c11-7-3-1-2-4-8-5-6-9(14-8)10(12)13/h5-6,11H,1,3,7H2,(H,12,13)
InChIKeyDGIVMEIAIKDIFU-UHFFFAOYSA-N
XLogP1.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxypent-1-ynyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(5-hydroxypent-1-ynyl)thiophene-2-carboxylic acid (CID 122241632) is 5-(5-hydroxypent-1-ynyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(5-hydroxypent-1-ynyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(5-hydroxypent-1-ynyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(C#CCCCO)s1.
What is the InChIKey of 5-(5-hydroxypent-1-ynyl)thiophene-2-carboxylic acid?
The InChIKey is DGIVMEIAIKDIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c11-7-3-1-2-4-8-5-6-9(14-8)10(12)13/h5-6,11H,1,3,7H2,(H,12,13).
What are the key properties of 5-(5-hydroxypent-1-ynyl)thiophene-2-carboxylic acid?
5-(5-hydroxypent-1-ynyl)thiophene-2-carboxylic acid has a molecular weight of 210.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxypent-1-ynyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 122241632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).