2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol

C13H17NO — CID 115023091

IUPAC2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol
SMILESOc1ccccc1C1(CN2CCC2)CC1
InChIInChI=1S/C13H17NO/c15-12-5-2-1-4-11(12)13(6-7-13)10-14-8-3-9-14/h1-2,4-5,15H,3,6-10H2
InChIKeyPJMDYJLOVVJLRJ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.13
Rot. Bonds3

About 2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol

2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol (PubChem CID 115023091) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol.

Molecular Properties

Compound Name2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol
PubChem CID115023091
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol
SMILESOc1ccccc1C1(CN2CCC2)CC1
InChIInChI=1S/C13H17NO/c15-12-5-2-1-4-11(12)13(6-7-13)10-14-8-3-9-14/h1-2,4-5,15H,3,6-10H2
InChIKeyPJMDYJLOVVJLRJ-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol?
The IUPAC name of 2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol (CID 115023091) is 2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol.
What is the SMILES notation for 2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol?
The canonical SMILES for 2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol is Oc1ccccc1C1(CN2CCC2)CC1.
What is the InChIKey of 2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol?
The InChIKey is PJMDYJLOVVJLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-12-5-2-1-4-11(12)13(6-7-13)10-14-8-3-9-14/h1-2,4-5,15H,3,6-10H2.
What are the key properties of 2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol?
2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol has a molecular weight of 203.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol is sourced from PubChem (CID 115023091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).