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

C11H13ClO3 — CID 14573

IUPAC[2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(c2ccc(Cl)cc2)OCC(CO)O1
InChIInChI=1S/C11H13ClO3/c1-11(14-7-10(6-13)15-11)8-2-4-9(12)5-3-8/h2-5,10,13H,6-7H2,1H3
InChIKeyIPYOCBWUDXJNGI-UHFFFAOYSA-N
MW228.67 g/mol
LogP1.92
Rot. Bonds2

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

[2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol (PubChem CID 14573) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
PubChem CID14573
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name[2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(c2ccc(Cl)cc2)OCC(CO)O1
InChIInChI=1S/C11H13ClO3/c1-11(14-7-10(6-13)15-11)8-2-4-9(12)5-3-8/h2-5,10,13H,6-7H2,1H3
InChIKeyIPYOCBWUDXJNGI-UHFFFAOYSA-N
XLogP1.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol (CID 14573) is [2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol is CC1(c2ccc(Cl)cc2)OCC(CO)O1.
What is the InChIKey of [2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is IPYOCBWUDXJNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-11(14-7-10(6-13)15-11)8-2-4-9(12)5-3-8/h2-5,10,13H,6-7H2,1H3.
What are the key properties of [2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
[2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 228.67 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 14573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).