2-(3-methoxypropyl)thiophen-3-ol

C8H12O2S — CID 57208046

IUPAC2-(3-methoxypropyl)thiophen-3-ol
SMILESCOCCCc1sccc1O
InChIInChI=1S/C8H12O2S/c1-10-5-2-3-8-7(9)4-6-11-8/h4,6,9H,2-3,5H2,1H3
InChIKeyYRABAXQOQNWPLR-UHFFFAOYSA-N
MW172.25 g/mol
LogP2.03
Rot. Bonds4

About 2-(3-methoxypropyl)thiophen-3-ol

2-(3-methoxypropyl)thiophen-3-ol (PubChem CID 57208046) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-(3-methoxypropyl)thiophen-3-ol.

Molecular Properties

Compound Name2-(3-methoxypropyl)thiophen-3-ol
PubChem CID57208046
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name2-(3-methoxypropyl)thiophen-3-ol
SMILESCOCCCc1sccc1O
InChIInChI=1S/C8H12O2S/c1-10-5-2-3-8-7(9)4-6-11-8/h4,6,9H,2-3,5H2,1H3
InChIKeyYRABAXQOQNWPLR-UHFFFAOYSA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)thiophen-3-ol?
The IUPAC name of 2-(3-methoxypropyl)thiophen-3-ol (CID 57208046) is 2-(3-methoxypropyl)thiophen-3-ol.
What is the SMILES notation for 2-(3-methoxypropyl)thiophen-3-ol?
The canonical SMILES for 2-(3-methoxypropyl)thiophen-3-ol is COCCCc1sccc1O.
What is the InChIKey of 2-(3-methoxypropyl)thiophen-3-ol?
The InChIKey is YRABAXQOQNWPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-10-5-2-3-8-7(9)4-6-11-8/h4,6,9H,2-3,5H2,1H3.
What are the key properties of 2-(3-methoxypropyl)thiophen-3-ol?
2-(3-methoxypropyl)thiophen-3-ol has a molecular weight of 172.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)thiophen-3-ol is sourced from PubChem (CID 57208046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).