2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol

C14H20O3 — CID 117169452

IUPAC2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol
SMILESCc1cccc(CC2(C)OCC(CCO)O2)c1
InChIInChI=1S/C14H20O3/c1-11-4-3-5-12(8-11)9-14(2)16-10-13(17-14)6-7-15/h3-5,8,13,15H,6-7,9-10H2,1-2H3
InChIKeyGCFXJDZZOSRRJW-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.05
Rot. Bonds4

About 2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol

2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol (PubChem CID 117169452) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol
PubChem CID117169452
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol
SMILESCc1cccc(CC2(C)OCC(CCO)O2)c1
InChIInChI=1S/C14H20O3/c1-11-4-3-5-12(8-11)9-14(2)16-10-13(17-14)6-7-15/h3-5,8,13,15H,6-7,9-10H2,1-2H3
InChIKeyGCFXJDZZOSRRJW-UHFFFAOYSA-N
XLogP2.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]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-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol (CID 117169452) is 2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol is Cc1cccc(CC2(C)OCC(CCO)O2)c1.
What is the InChIKey of 2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol?
The InChIKey is GCFXJDZZOSRRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11-4-3-5-12(8-11)9-14(2)16-10-13(17-14)6-7-15/h3-5,8,13,15H,6-7,9-10H2,1-2H3.
What are the key properties of 2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol?
2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol has a molecular weight of 236.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117169452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).