2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol

C13H18O2 — CID 117295102

IUPAC2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol
SMILESCC(C)(CO)c1ccc(C2COC2)cc1
InChIInChI=1S/C13H18O2/c1-13(2,9-14)12-5-3-10(4-6-12)11-7-15-8-11/h3-6,11,14H,7-9H2,1-2H3
InChIKeySZQXOKZSXVUCKV-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.07
Rot. Bonds3

About 2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol

2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol (PubChem CID 117295102) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol
PubChem CID117295102
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol
SMILESCC(C)(CO)c1ccc(C2COC2)cc1
InChIInChI=1S/C13H18O2/c1-13(2,9-14)12-5-3-10(4-6-12)11-7-15-8-11/h3-6,11,14H,7-9H2,1-2H3
InChIKeySZQXOKZSXVUCKV-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol?
The IUPAC name of 2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol (CID 117295102) is 2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol is CC(C)(CO)c1ccc(C2COC2)cc1.
What is the InChIKey of 2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol?
The InChIKey is SZQXOKZSXVUCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2,9-14)12-5-3-10(4-6-12)11-7-15-8-11/h3-6,11,14H,7-9H2,1-2H3.
What are the key properties of 2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol?
2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(oxetan-3-yl)phenyl]propan-1-ol is sourced from PubChem (CID 117295102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).