2-(1,3-dioxolan-2-yl)-2-phenylethanol

C11H14O3 — CID 102198960

IUPAC2-(1,3-dioxolan-2-yl)-2-phenylethanol
SMILESOCC(c1ccccc1)C1OCCO1
InChIInChI=1S/C11H14O3/c12-8-10(11-13-6-7-14-11)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKeyORQLNFVCBIGWEZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.14
Rot. Bonds3

About 2-(1,3-dioxolan-2-yl)-2-phenylethanol

2-(1,3-dioxolan-2-yl)-2-phenylethanol (PubChem CID 102198960) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-2-phenylethanol.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-2-phenylethanol
PubChem CID102198960
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(1,3-dioxolan-2-yl)-2-phenylethanol
SMILESOCC(c1ccccc1)C1OCCO1
InChIInChI=1S/C11H14O3/c12-8-10(11-13-6-7-14-11)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKeyORQLNFVCBIGWEZ-UHFFFAOYSA-N
XLogP1.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-2-phenylethanol?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-2-phenylethanol (CID 102198960) is 2-(1,3-dioxolan-2-yl)-2-phenylethanol.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-2-phenylethanol?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-2-phenylethanol is OCC(c1ccccc1)C1OCCO1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-2-phenylethanol?
The InChIKey is ORQLNFVCBIGWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-8-10(11-13-6-7-14-11)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-2-phenylethanol?
2-(1,3-dioxolan-2-yl)-2-phenylethanol has a molecular weight of 194.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-2-phenylethanol is sourced from PubChem (CID 102198960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).