[2-methyl-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol

C12H16O3 — CID 16636

IUPAC[2-methyl-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol
SMILESCc1ccc(C2(C)OCC(CO)O2)cc1
InChIInChI=1S/C12H16O3/c1-9-3-5-10(6-4-9)12(2)14-8-11(7-13)15-12/h3-6,11,13H,7-8H2,1-2H3
InChIKeyNXRSRGBFRBVWBS-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.58
Rot. Bonds2

About [2-methyl-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol

[2-methyl-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 16636) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is [2-methyl-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-methyl-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol
PubChem CID16636
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name[2-methyl-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol
SMILESCc1ccc(C2(C)OCC(CO)O2)cc1
InChIInChI=1S/C12H16O3/c1-9-3-5-10(6-4-9)12(2)14-8-11(7-13)15-12/h3-6,11,13H,7-8H2,1-2H3
InChIKeyNXRSRGBFRBVWBS-UHFFFAOYSA-N
XLogP1.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-methyl-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol (CID 16636) is [2-methyl-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-methyl-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-methyl-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol is Cc1ccc(C2(C)OCC(CO)O2)cc1.
What is the InChIKey of [2-methyl-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is NXRSRGBFRBVWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-3-5-10(6-4-9)12(2)14-8-11(7-13)15-12/h3-6,11,13H,7-8H2,1-2H3.
What are the key properties of [2-methyl-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol?
[2-methyl-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 208.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 16636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).