1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-ol

C11H14O2S — CID 130587781

IUPAC1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-ol
SMILESCCC(C)(O)C#Cc1ccc(OC)s1
InChIInChI=1S/C11H14O2S/c1-4-11(2,12)8-7-9-5-6-10(13-3)14-9/h5-6,12H,4H2,1-3H3
InChIKeyDIFQXNFTLHKJEV-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.27
Rot. Bonds2

About 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-ol

1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-ol (PubChem CID 130587781) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-ol.

Molecular Properties

Compound Name1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-ol
PubChem CID130587781
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-ol
SMILESCCC(C)(O)C#Cc1ccc(OC)s1
InChIInChI=1S/C11H14O2S/c1-4-11(2,12)8-7-9-5-6-10(13-3)14-9/h5-6,12H,4H2,1-3H3
InChIKeyDIFQXNFTLHKJEV-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-ol?
The IUPAC name of 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-ol (CID 130587781) is 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-ol.
What is the SMILES notation for 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-ol?
The canonical SMILES for 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-ol is CCC(C)(O)C#Cc1ccc(OC)s1.
What is the InChIKey of 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-ol?
The InChIKey is DIFQXNFTLHKJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-4-11(2,12)8-7-9-5-6-10(13-3)14-9/h5-6,12H,4H2,1-3H3.
What are the key properties of 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-ol?
1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-ol has a molecular weight of 210.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-ol is sourced from PubChem (CID 130587781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).