2-[4-(1,3-dioxan-2-yl)phenyl]ethanol

C12H16O3 — CID 45117158

IUPAC2-[4-(1,3-dioxan-2-yl)phenyl]ethanol
SMILESOCCc1ccc(C2OCCCO2)cc1
InChIInChI=1S/C12H16O3/c13-7-6-10-2-4-11(5-3-10)12-14-8-1-9-15-12/h2-5,12-13H,1,6-9H2
InChIKeyYLSPFIYPFYVVDV-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.66
Rot. Bonds3

About 2-[4-(1,3-dioxan-2-yl)phenyl]ethanol

2-[4-(1,3-dioxan-2-yl)phenyl]ethanol (PubChem CID 45117158) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[4-(1,3-dioxan-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(1,3-dioxan-2-yl)phenyl]ethanol
PubChem CID45117158
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-[4-(1,3-dioxan-2-yl)phenyl]ethanol
SMILESOCCc1ccc(C2OCCCO2)cc1
InChIInChI=1S/C12H16O3/c13-7-6-10-2-4-11(5-3-10)12-14-8-1-9-15-12/h2-5,12-13H,1,6-9H2
InChIKeyYLSPFIYPFYVVDV-UHFFFAOYSA-N
XLogP1.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(1,3-dioxan-2-yl)phenyl]ethanol 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-(1,3-dioxan-2-yl)phenyl]ethanol?
The IUPAC name of 2-[4-(1,3-dioxan-2-yl)phenyl]ethanol (CID 45117158) is 2-[4-(1,3-dioxan-2-yl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(1,3-dioxan-2-yl)phenyl]ethanol?
The canonical SMILES for 2-[4-(1,3-dioxan-2-yl)phenyl]ethanol is OCCc1ccc(C2OCCCO2)cc1.
What is the InChIKey of 2-[4-(1,3-dioxan-2-yl)phenyl]ethanol?
The InChIKey is YLSPFIYPFYVVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-7-6-10-2-4-11(5-3-10)12-14-8-1-9-15-12/h2-5,12-13H,1,6-9H2.
What are the key properties of 2-[4-(1,3-dioxan-2-yl)phenyl]ethanol?
2-[4-(1,3-dioxan-2-yl)phenyl]ethanol has a molecular weight of 208.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxan-2-yl)phenyl]ethanol is sourced from PubChem (CID 45117158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).