3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol

C13H19NO — CID 176665443

IUPAC3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol
SMILESCc1ccc(C(C)C)cc1C1(O)CNC1
InChIInChI=1S/C13H19NO/c1-9(2)11-5-4-10(3)12(6-11)13(15)7-14-8-13/h4-6,9,14-15H,7-8H2,1-3H3
InChIKeyKTOIAFXAKHXZKM-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.91
Rot. Bonds2

About 3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol

3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol (PubChem CID 176665443) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol.

Molecular Properties

Compound Name3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol
PubChem CID176665443
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol
SMILESCc1ccc(C(C)C)cc1C1(O)CNC1
InChIInChI=1S/C13H19NO/c1-9(2)11-5-4-10(3)12(6-11)13(15)7-14-8-13/h4-6,9,14-15H,7-8H2,1-3H3
InChIKeyKTOIAFXAKHXZKM-UHFFFAOYSA-N
XLogP1.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol?
The IUPAC name of 3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol (CID 176665443) is 3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol.
What is the SMILES notation for 3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol?
The canonical SMILES for 3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol is Cc1ccc(C(C)C)cc1C1(O)CNC1.
What is the InChIKey of 3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol?
The InChIKey is KTOIAFXAKHXZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)11-5-4-10(3)12(6-11)13(15)7-14-8-13/h4-6,9,14-15H,7-8H2,1-3H3.
What are the key properties of 3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol?
3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-propan-2-ylphenyl)azetidin-3-ol is sourced from PubChem (CID 176665443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).