[5-(1,3-dioxolan-2-yl)thiophen-3-yl]methanol

C8H10O3S — CID 19744795

IUPAC[5-(1,3-dioxolan-2-yl)thiophen-3-yl]methanol
SMILESOCc1csc(C2OCCO2)c1
InChIInChI=1S/C8H10O3S/c9-4-6-3-7(12-5-6)8-10-1-2-11-8/h3,5,8-9H,1-2,4H2
InChIKeyDPYPGTVECXIREV-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.29
Rot. Bonds2

About [5-(1,3-dioxolan-2-yl)thiophen-3-yl]methanol

[5-(1,3-dioxolan-2-yl)thiophen-3-yl]methanol (PubChem CID 19744795) has the molecular formula C8H10O3S and a molecular weight of 186.23 g/mol. Its IUPAC name is [5-(1,3-dioxolan-2-yl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name[5-(1,3-dioxolan-2-yl)thiophen-3-yl]methanol
PubChem CID19744795
Molecular FormulaC8H10O3S
Molecular Weight186.23 g/mol
Exact Mass186.04
IUPAC Name[5-(1,3-dioxolan-2-yl)thiophen-3-yl]methanol
SMILESOCc1csc(C2OCCO2)c1
InChIInChI=1S/C8H10O3S/c9-4-6-3-7(12-5-6)8-10-1-2-11-8/h3,5,8-9H,1-2,4H2
InChIKeyDPYPGTVECXIREV-UHFFFAOYSA-N
XLogP1.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1,3-dioxolan-2-yl)thiophen-3-yl]methanol?
The IUPAC name of [5-(1,3-dioxolan-2-yl)thiophen-3-yl]methanol (CID 19744795) is [5-(1,3-dioxolan-2-yl)thiophen-3-yl]methanol.
What is the SMILES notation for [5-(1,3-dioxolan-2-yl)thiophen-3-yl]methanol?
The canonical SMILES for [5-(1,3-dioxolan-2-yl)thiophen-3-yl]methanol is OCc1csc(C2OCCO2)c1.
What is the InChIKey of [5-(1,3-dioxolan-2-yl)thiophen-3-yl]methanol?
The InChIKey is DPYPGTVECXIREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S/c9-4-6-3-7(12-5-6)8-10-1-2-11-8/h3,5,8-9H,1-2,4H2.
What are the key properties of [5-(1,3-dioxolan-2-yl)thiophen-3-yl]methanol?
[5-(1,3-dioxolan-2-yl)thiophen-3-yl]methanol has a molecular weight of 186.23 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-dioxolan-2-yl)thiophen-3-yl]methanol is sourced from PubChem (CID 19744795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).