4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]phenol

C13H18O3 — CID 538770

IUPAC4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]phenol
SMILESCC1COC(C)(CCc2ccc(O)cc2)O1
InChIInChI=1S/C13H18O3/c1-10-9-15-13(2,16-10)8-7-11-3-5-12(14)6-4-11/h3-6,10,14H,7-9H2,1-2H3
InChIKeyGSBAMZJCUIZTPS-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.48
Rot. Bonds3

About 4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]phenol

4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]phenol (PubChem CID 538770) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]phenol
PubChem CID538770
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]phenol
SMILESCC1COC(C)(CCc2ccc(O)cc2)O1
InChIInChI=1S/C13H18O3/c1-10-9-15-13(2,16-10)8-7-11-3-5-12(14)6-4-11/h3-6,10,14H,7-9H2,1-2H3
InChIKeyGSBAMZJCUIZTPS-UHFFFAOYSA-N
XLogP2.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]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 4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]phenol?
The IUPAC name of 4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]phenol (CID 538770) is 4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]phenol?
The canonical SMILES for 4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]phenol is CC1COC(C)(CCc2ccc(O)cc2)O1.
What is the InChIKey of 4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]phenol?
The InChIKey is GSBAMZJCUIZTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-10-9-15-13(2,16-10)8-7-11-3-5-12(14)6-4-11/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]phenol?
4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]phenol has a molecular weight of 222.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethyl-1,3-dioxolan-2-yl)ethyl]phenol is sourced from PubChem (CID 538770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).