4-(1-methylazetidin-3-yl)phenol

C10H13NO — CID 84651703

IUPAC4-(1-methylazetidin-3-yl)phenol
SMILESCN1CC(c2ccc(O)cc2)C1
InChIInChI=1S/C10H13NO/c1-11-6-9(7-11)8-2-4-10(12)5-3-8/h2-5,9,12H,6-7H2,1H3
InChIKeyOPHORBZGNSKOHT-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.42
Rot. Bonds1

About 4-(1-methylazetidin-3-yl)phenol

4-(1-methylazetidin-3-yl)phenol (PubChem CID 84651703) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-(1-methylazetidin-3-yl)phenol.

Molecular Properties

Compound Name4-(1-methylazetidin-3-yl)phenol
PubChem CID84651703
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-(1-methylazetidin-3-yl)phenol
SMILESCN1CC(c2ccc(O)cc2)C1
InChIInChI=1S/C10H13NO/c1-11-6-9(7-11)8-2-4-10(12)5-3-8/h2-5,9,12H,6-7H2,1H3
InChIKeyOPHORBZGNSKOHT-UHFFFAOYSA-N
XLogP1.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylazetidin-3-yl)phenol?
The IUPAC name of 4-(1-methylazetidin-3-yl)phenol (CID 84651703) is 4-(1-methylazetidin-3-yl)phenol.
What is the SMILES notation for 4-(1-methylazetidin-3-yl)phenol?
The canonical SMILES for 4-(1-methylazetidin-3-yl)phenol is CN1CC(c2ccc(O)cc2)C1.
What is the InChIKey of 4-(1-methylazetidin-3-yl)phenol?
The InChIKey is OPHORBZGNSKOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-11-6-9(7-11)8-2-4-10(12)5-3-8/h2-5,9,12H,6-7H2,1H3.
What are the key properties of 4-(1-methylazetidin-3-yl)phenol?
4-(1-methylazetidin-3-yl)phenol has a molecular weight of 163.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylazetidin-3-yl)phenol is sourced from PubChem (CID 84651703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).