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

C11H14O3 — CID 20371

IUPAC(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanol
SMILESCC1(c2ccccc2)OCC(CO)O1
InChIInChI=1S/C11H14O3/c1-11(9-5-3-2-4-6-9)13-8-10(7-12)14-11/h2-6,10,12H,7-8H2,1H3
InChIKeyLYQZNMYSUIDIML-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.27
Rot. Bonds2

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

(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanol (PubChem CID 20371) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanol
PubChem CID20371
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanol
SMILESCC1(c2ccccc2)OCC(CO)O1
InChIInChI=1S/C11H14O3/c1-11(9-5-3-2-4-6-9)13-8-10(7-12)14-11/h2-6,10,12H,7-8H2,1H3
InChIKeyLYQZNMYSUIDIML-UHFFFAOYSA-N
XLogP1.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanol (CID 20371) is (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanol is CC1(c2ccccc2)OCC(CO)O1.
What is the InChIKey of (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is LYQZNMYSUIDIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(9-5-3-2-4-6-9)13-8-10(7-12)14-11/h2-6,10,12H,7-8H2,1H3.
What are the key properties of (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanol?
(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 194.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 20371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).