3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol

C10H13ClO3S — CID 82119041

IUPAC3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol
SMILESOCCCC1(c2ccc(Cl)s2)OCCO1
InChIInChI=1S/C10H13ClO3S/c11-9-3-2-8(15-9)10(4-1-5-12)13-6-7-14-10/h2-3,12H,1,4-7H2
InChIKeyAEXGERSLKFLQCI-UHFFFAOYSA-N
MW248.73 g/mol
LogP2.37
Rot. Bonds4

About 3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol

3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol (PubChem CID 82119041) has the molecular formula C10H13ClO3S and a molecular weight of 248.73 g/mol. Its IUPAC name is 3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol
PubChem CID82119041
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Name3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol
SMILESOCCCC1(c2ccc(Cl)s2)OCCO1
InChIInChI=1S/C10H13ClO3S/c11-9-3-2-8(15-9)10(4-1-5-12)13-6-7-14-10/h2-3,12H,1,4-7H2
InChIKeyAEXGERSLKFLQCI-UHFFFAOYSA-N
XLogP2.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol?
The IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol (CID 82119041) is 3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol?
The canonical SMILES for 3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol is OCCCC1(c2ccc(Cl)s2)OCCO1.
What is the InChIKey of 3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol?
The InChIKey is AEXGERSLKFLQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3S/c11-9-3-2-8(15-9)10(4-1-5-12)13-6-7-14-10/h2-3,12H,1,4-7H2.
What are the key properties of 3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol?
3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol has a molecular weight of 248.73 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chlorothiophen-2-yl)-1,3-dioxolan-2-yl]propan-1-ol is sourced from PubChem (CID 82119041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).