1-(1,4-dioxan-2-yl)-2-phenylethanol

C12H16O3 — CID 57153812

IUPAC1-(1,4-dioxan-2-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)C1COCCO1
InChIInChI=1S/C12H16O3/c13-11(12-9-14-6-7-15-12)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKeyCINBBXRIDAQYAK-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.01
Rot. Bonds3

About 1-(1,4-dioxan-2-yl)-2-phenylethanol

1-(1,4-dioxan-2-yl)-2-phenylethanol (PubChem CID 57153812) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-phenylethanol
PubChem CID57153812
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(1,4-dioxan-2-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)C1COCCO1
InChIInChI=1S/C12H16O3/c13-11(12-9-14-6-7-15-12)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKeyCINBBXRIDAQYAK-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,4-dioxan-2-yl)-2-phenylethanol 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 1-(1,4-dioxan-2-yl)-2-phenylethanol?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-phenylethanol (CID 57153812) is 1-(1,4-dioxan-2-yl)-2-phenylethanol.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-phenylethanol?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-phenylethanol is OC(Cc1ccccc1)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-phenylethanol?
The InChIKey is CINBBXRIDAQYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-11(12-9-14-6-7-15-12)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-phenylethanol?
1-(1,4-dioxan-2-yl)-2-phenylethanol has a molecular weight of 208.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-2-phenylethanol is sourced from PubChem (CID 57153812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).