2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol

C15H20O3 — CID 142111859

IUPAC2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol
SMILESOCCC1COC(c2ccc(C3CCC3)cc2)O1
InChIInChI=1S/C15H20O3/c16-9-8-14-10-17-15(18-14)13-6-4-12(5-7-13)11-2-1-3-11/h4-7,11,14-16H,1-3,8-10H2
InChIKeyAEGFSHBPXBXTFD-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.75
Rot. Bonds4

About 2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol

2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol (PubChem CID 142111859) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol
PubChem CID142111859
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol
SMILESOCCC1COC(c2ccc(C3CCC3)cc2)O1
InChIInChI=1S/C15H20O3/c16-9-8-14-10-17-15(18-14)13-6-4-12(5-7-13)11-2-1-3-11/h4-7,11,14-16H,1-3,8-10H2
InChIKeyAEGFSHBPXBXTFD-UHFFFAOYSA-N
XLogP2.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol (CID 142111859) is 2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol is OCCC1COC(c2ccc(C3CCC3)cc2)O1.
What is the InChIKey of 2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol?
The InChIKey is AEGFSHBPXBXTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-9-8-14-10-17-15(18-14)13-6-4-12(5-7-13)11-2-1-3-11/h4-7,11,14-16H,1-3,8-10H2.
What are the key properties of 2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol?
2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol has a molecular weight of 248.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 142111859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).