2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol

C13H19NO — CID 115058746

IUPAC2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol
SMILESCC(C)C1(Cc2ccccc2O)CCN1
InChIInChI=1S/C13H19NO/c1-10(2)13(7-8-14-13)9-11-5-3-4-6-12(11)15/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyGANFOPSDQSYJNZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.32
Rot. Bonds3

About 2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol

2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol (PubChem CID 115058746) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol
PubChem CID115058746
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol
SMILESCC(C)C1(Cc2ccccc2O)CCN1
InChIInChI=1S/C13H19NO/c1-10(2)13(7-8-14-13)9-11-5-3-4-6-12(11)15/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyGANFOPSDQSYJNZ-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol?
The IUPAC name of 2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol (CID 115058746) is 2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol.
What is the SMILES notation for 2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol?
The canonical SMILES for 2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol is CC(C)C1(Cc2ccccc2O)CCN1.
What is the InChIKey of 2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol?
The InChIKey is GANFOPSDQSYJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)13(7-8-14-13)9-11-5-3-4-6-12(11)15/h3-6,10,14-15H,7-9H2,1-2H3.
What are the key properties of 2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol?
2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol is sourced from PubChem (CID 115058746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).