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

C11H14O3 — CID 55253379

IUPAC[2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol
SMILESCc1ccc(C2(CO)OCCO2)cc1
InChIInChI=1S/C11H14O3/c1-9-2-4-10(5-3-9)11(8-12)13-6-7-14-11/h2-5,12H,6-8H2,1H3
InChIKeyHWJUMXPWDBYZMD-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.19
Rot. Bonds2

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

[2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol (PubChem CID 55253379) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol
PubChem CID55253379
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name[2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol
SMILESCc1ccc(C2(CO)OCCO2)cc1
InChIInChI=1S/C11H14O3/c1-9-2-4-10(5-3-9)11(8-12)13-6-7-14-11/h2-5,12H,6-8H2,1H3
InChIKeyHWJUMXPWDBYZMD-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol?
The IUPAC name of [2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol (CID 55253379) is [2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol?
The canonical SMILES for [2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol is Cc1ccc(C2(CO)OCCO2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol?
The InChIKey is HWJUMXPWDBYZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-9-2-4-10(5-3-9)11(8-12)13-6-7-14-11/h2-5,12H,6-8H2,1H3.
What are the key properties of [2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol?
[2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol has a molecular weight of 194.23 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol is sourced from PubChem (CID 55253379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).