2-(4-methoxyphenyl)-1,3-dioxan-5-ol

C11H14O4 — CID 13478629

IUPAC2-(4-methoxyphenyl)-1,3-dioxan-5-ol
SMILESCOc1ccc(C2OCC(O)CO2)cc1
InChIInChI=1S/C11H14O4/c1-13-10-4-2-8(3-5-10)11-14-6-9(12)7-15-11/h2-5,9,11-12H,6-7H2,1H3
InChIKeySPYXTZFLEURUAK-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.10
Rot. Bonds2

About 2-(4-methoxyphenyl)-1,3-dioxan-5-ol

2-(4-methoxyphenyl)-1,3-dioxan-5-ol (PubChem CID 13478629) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,3-dioxan-5-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,3-dioxan-5-ol
PubChem CID13478629
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(4-methoxyphenyl)-1,3-dioxan-5-ol
SMILESCOc1ccc(C2OCC(O)CO2)cc1
InChIInChI=1S/C11H14O4/c1-13-10-4-2-8(3-5-10)11-14-6-9(12)7-15-11/h2-5,9,11-12H,6-7H2,1H3
InChIKeySPYXTZFLEURUAK-UHFFFAOYSA-N
XLogP1.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)-1,3-dioxan-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1,3-dioxan-5-ol?
The IUPAC name of 2-(4-methoxyphenyl)-1,3-dioxan-5-ol (CID 13478629) is 2-(4-methoxyphenyl)-1,3-dioxan-5-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,3-dioxan-5-ol?
The canonical SMILES for 2-(4-methoxyphenyl)-1,3-dioxan-5-ol is COc1ccc(C2OCC(O)CO2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,3-dioxan-5-ol?
The InChIKey is SPYXTZFLEURUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-13-10-4-2-8(3-5-10)11-14-6-9(12)7-15-11/h2-5,9,11-12H,6-7H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1,3-dioxan-5-ol?
2-(4-methoxyphenyl)-1,3-dioxan-5-ol has a molecular weight of 210.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,3-dioxan-5-ol is sourced from PubChem (CID 13478629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).