3-(3-butylthiophen-2-yl)prop-2-yn-1-ol

C11H14OS — CID 169484881

IUPAC3-(3-butylthiophen-2-yl)prop-2-yn-1-ol
SMILESCCCCc1ccsc1C#CCO
InChIInChI=1S/C11H14OS/c1-2-3-5-10-7-9-13-11(10)6-4-8-12/h7,9,12H,2-3,5,8H2,1H3
InChIKeyBFLYJFJKJVCAGB-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.43
Rot. Bonds3

About 3-(3-butylthiophen-2-yl)prop-2-yn-1-ol

3-(3-butylthiophen-2-yl)prop-2-yn-1-ol (PubChem CID 169484881) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-(3-butylthiophen-2-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(3-butylthiophen-2-yl)prop-2-yn-1-ol
PubChem CID169484881
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name3-(3-butylthiophen-2-yl)prop-2-yn-1-ol
SMILESCCCCc1ccsc1C#CCO
InChIInChI=1S/C11H14OS/c1-2-3-5-10-7-9-13-11(10)6-4-8-12/h7,9,12H,2-3,5,8H2,1H3
InChIKeyBFLYJFJKJVCAGB-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-butylthiophen-2-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(3-butylthiophen-2-yl)prop-2-yn-1-ol (CID 169484881) is 3-(3-butylthiophen-2-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(3-butylthiophen-2-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(3-butylthiophen-2-yl)prop-2-yn-1-ol is CCCCc1ccsc1C#CCO.
What is the InChIKey of 3-(3-butylthiophen-2-yl)prop-2-yn-1-ol?
The InChIKey is BFLYJFJKJVCAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-2-3-5-10-7-9-13-11(10)6-4-8-12/h7,9,12H,2-3,5,8H2,1H3.
What are the key properties of 3-(3-butylthiophen-2-yl)prop-2-yn-1-ol?
3-(3-butylthiophen-2-yl)prop-2-yn-1-ol has a molecular weight of 194.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butylthiophen-2-yl)prop-2-yn-1-ol is sourced from PubChem (CID 169484881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).