2-(5-methylthiophen-3-yl)-1-(oxan-2-yloxy)propan-2-ol

C13H20O3S — CID 18996172

IUPAC2-(5-methylthiophen-3-yl)-1-(oxan-2-yloxy)propan-2-ol
SMILESCc1cc(C(C)(O)COC2CCCCO2)cs1
InChIInChI=1S/C13H20O3S/c1-10-7-11(8-17-10)13(2,14)9-16-12-5-3-4-6-15-12/h7-8,12,14H,3-6,9H2,1-2H3
InChIKeyYDNZNKNYWNVZFU-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.81
Rot. Bonds4

About 2-(5-methylthiophen-3-yl)-1-(oxan-2-yloxy)propan-2-ol

2-(5-methylthiophen-3-yl)-1-(oxan-2-yloxy)propan-2-ol (PubChem CID 18996172) has the molecular formula C13H20O3S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(5-methylthiophen-3-yl)-1-(oxan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name2-(5-methylthiophen-3-yl)-1-(oxan-2-yloxy)propan-2-ol
PubChem CID18996172
Molecular FormulaC13H20O3S
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name2-(5-methylthiophen-3-yl)-1-(oxan-2-yloxy)propan-2-ol
SMILESCc1cc(C(C)(O)COC2CCCCO2)cs1
InChIInChI=1S/C13H20O3S/c1-10-7-11(8-17-10)13(2,14)9-16-12-5-3-4-6-15-12/h7-8,12,14H,3-6,9H2,1-2H3
InChIKeyYDNZNKNYWNVZFU-UHFFFAOYSA-N
XLogP2.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-3-yl)-1-(oxan-2-yloxy)propan-2-ol?
The IUPAC name of 2-(5-methylthiophen-3-yl)-1-(oxan-2-yloxy)propan-2-ol (CID 18996172) is 2-(5-methylthiophen-3-yl)-1-(oxan-2-yloxy)propan-2-ol.
What is the SMILES notation for 2-(5-methylthiophen-3-yl)-1-(oxan-2-yloxy)propan-2-ol?
The canonical SMILES for 2-(5-methylthiophen-3-yl)-1-(oxan-2-yloxy)propan-2-ol is Cc1cc(C(C)(O)COC2CCCCO2)cs1.
What is the InChIKey of 2-(5-methylthiophen-3-yl)-1-(oxan-2-yloxy)propan-2-ol?
The InChIKey is YDNZNKNYWNVZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3S/c1-10-7-11(8-17-10)13(2,14)9-16-12-5-3-4-6-15-12/h7-8,12,14H,3-6,9H2,1-2H3.
What are the key properties of 2-(5-methylthiophen-3-yl)-1-(oxan-2-yloxy)propan-2-ol?
2-(5-methylthiophen-3-yl)-1-(oxan-2-yloxy)propan-2-ol has a molecular weight of 256.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-3-yl)-1-(oxan-2-yloxy)propan-2-ol is sourced from PubChem (CID 18996172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).