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

C12H16O3 — CID 21896

IUPAC(2-benzyl-2-methyl-1,3-dioxolan-4-yl)methanol
SMILESCC1(Cc2ccccc2)OCC(CO)O1
InChIInChI=1S/C12H16O3/c1-12(14-9-11(8-13)15-12)7-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3
InChIKeyYONKEPVOPVCARG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.35
Rot. Bonds3

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

(2-benzyl-2-methyl-1,3-dioxolan-4-yl)methanol (PubChem CID 21896) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2-benzyl-2-methyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-benzyl-2-methyl-1,3-dioxolan-4-yl)methanol
PubChem CID21896
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2-benzyl-2-methyl-1,3-dioxolan-4-yl)methanol
SMILESCC1(Cc2ccccc2)OCC(CO)O1
InChIInChI=1S/C12H16O3/c1-12(14-9-11(8-13)15-12)7-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3
InChIKeyYONKEPVOPVCARG-UHFFFAOYSA-N
XLogP1.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-benzyl-2-methyl-1,3-dioxolan-4-yl)methanol (CID 21896) is (2-benzyl-2-methyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-benzyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-benzyl-2-methyl-1,3-dioxolan-4-yl)methanol is CC1(Cc2ccccc2)OCC(CO)O1.
What is the InChIKey of (2-benzyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is YONKEPVOPVCARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-12(14-9-11(8-13)15-12)7-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3.
What are the key properties of (2-benzyl-2-methyl-1,3-dioxolan-4-yl)methanol?
(2-benzyl-2-methyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 208.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-2-methyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 21896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).