(2-benzyl-1,3-dioxolan-4-yl)methanol

C11H14O3 — CID 21895

IUPAC(2-benzyl-1,3-dioxolan-4-yl)methanol
SMILESOCC1COC(Cc2ccccc2)O1
InChIInChI=1S/C11H14O3/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKeyZPENOSKWEKGDCX-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.96
Rot. Bonds3

About (2-benzyl-1,3-dioxolan-4-yl)methanol

(2-benzyl-1,3-dioxolan-4-yl)methanol (PubChem CID 21895) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2-benzyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-benzyl-1,3-dioxolan-4-yl)methanol
PubChem CID21895
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2-benzyl-1,3-dioxolan-4-yl)methanol
SMILESOCC1COC(Cc2ccccc2)O1
InChIInChI=1S/C11H14O3/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKeyZPENOSKWEKGDCX-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-benzyl-1,3-dioxolan-4-yl)methanol (CID 21895) is (2-benzyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-benzyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-benzyl-1,3-dioxolan-4-yl)methanol is OCC1COC(Cc2ccccc2)O1.
What is the InChIKey of (2-benzyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is ZPENOSKWEKGDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2.
What are the key properties of (2-benzyl-1,3-dioxolan-4-yl)methanol?
(2-benzyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 194.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 21895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).