2-(5-methyl-1,3-dioxan-2-yl)phenol

C11H14O3 — CID 45117153

IUPAC2-(5-methyl-1,3-dioxan-2-yl)phenol
SMILESCC1COC(c2ccccc2O)OC1
InChIInChI=1S/C11H14O3/c1-8-6-13-11(14-7-8)9-4-2-3-5-10(9)12/h2-5,8,11-12H,6-7H2,1H3
InChIKeyTWUZQXAMTQQUPN-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.07
Rot. Bonds1

About 2-(5-methyl-1,3-dioxan-2-yl)phenol

2-(5-methyl-1,3-dioxan-2-yl)phenol (PubChem CID 45117153) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(5-methyl-1,3-dioxan-2-yl)phenol.

Molecular Properties

Compound Name2-(5-methyl-1,3-dioxan-2-yl)phenol
PubChem CID45117153
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(5-methyl-1,3-dioxan-2-yl)phenol
SMILESCC1COC(c2ccccc2O)OC1
InChIInChI=1S/C11H14O3/c1-8-6-13-11(14-7-8)9-4-2-3-5-10(9)12/h2-5,8,11-12H,6-7H2,1H3
InChIKeyTWUZQXAMTQQUPN-UHFFFAOYSA-N
XLogP2.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-methyl-1,3-dioxan-2-yl)phenol 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-(5-methyl-1,3-dioxan-2-yl)phenol?
The IUPAC name of 2-(5-methyl-1,3-dioxan-2-yl)phenol (CID 45117153) is 2-(5-methyl-1,3-dioxan-2-yl)phenol.
What is the SMILES notation for 2-(5-methyl-1,3-dioxan-2-yl)phenol?
The canonical SMILES for 2-(5-methyl-1,3-dioxan-2-yl)phenol is CC1COC(c2ccccc2O)OC1.
What is the InChIKey of 2-(5-methyl-1,3-dioxan-2-yl)phenol?
The InChIKey is TWUZQXAMTQQUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-6-13-11(14-7-8)9-4-2-3-5-10(9)12/h2-5,8,11-12H,6-7H2,1H3.
What are the key properties of 2-(5-methyl-1,3-dioxan-2-yl)phenol?
2-(5-methyl-1,3-dioxan-2-yl)phenol has a molecular weight of 194.23 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-dioxan-2-yl)phenol is sourced from PubChem (CID 45117153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).