2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol

C14H20O2 — CID 176665939

IUPAC2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol
SMILESCCc1ccc(C)c(C2(CCO)COC2)c1
InChIInChI=1S/C14H20O2/c1-3-12-5-4-11(2)13(8-12)14(6-7-15)9-16-10-14/h4-5,8,15H,3,6-7,9-10H2,1-2H3
InChIKeyRHOUZLIPGSYTTK-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.21
Rot. Bonds4

About 2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol

2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol (PubChem CID 176665939) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol
PubChem CID176665939
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol
SMILESCCc1ccc(C)c(C2(CCO)COC2)c1
InChIInChI=1S/C14H20O2/c1-3-12-5-4-11(2)13(8-12)14(6-7-15)9-16-10-14/h4-5,8,15H,3,6-7,9-10H2,1-2H3
InChIKeyRHOUZLIPGSYTTK-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(5-ethyl-2-methylphenyl)oxetan-3-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-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol?
The IUPAC name of 2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol (CID 176665939) is 2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol.
What is the SMILES notation for 2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol?
The canonical SMILES for 2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol is CCc1ccc(C)c(C2(CCO)COC2)c1.
What is the InChIKey of 2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol?
The InChIKey is RHOUZLIPGSYTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-12-5-4-11(2)13(8-12)14(6-7-15)9-16-10-14/h4-5,8,15H,3,6-7,9-10H2,1-2H3.
What are the key properties of 2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol?
2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol has a molecular weight of 220.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol is sourced from PubChem (CID 176665939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).