(3-phenylazetidin-3-yl)methanol

C10H13NO — CID 14322402

IUPAC(3-phenylazetidin-3-yl)methanol
SMILESOCC1(c2ccccc2)CNC1
InChIInChI=1S/C10H13NO/c12-8-10(6-11-7-10)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2
InChIKeyBGORPCNZTLVDOY-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.52
Rot. Bonds2

About (3-phenylazetidin-3-yl)methanol

(3-phenylazetidin-3-yl)methanol (PubChem CID 14322402) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (3-phenylazetidin-3-yl)methanol.

Molecular Properties

Compound Name(3-phenylazetidin-3-yl)methanol
PubChem CID14322402
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(3-phenylazetidin-3-yl)methanol
SMILESOCC1(c2ccccc2)CNC1
InChIInChI=1S/C10H13NO/c12-8-10(6-11-7-10)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2
InChIKeyBGORPCNZTLVDOY-UHFFFAOYSA-N
XLogP0.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-phenylazetidin-3-yl)methanol?
The IUPAC name of (3-phenylazetidin-3-yl)methanol (CID 14322402) is (3-phenylazetidin-3-yl)methanol.
What is the SMILES notation for (3-phenylazetidin-3-yl)methanol?
The canonical SMILES for (3-phenylazetidin-3-yl)methanol is OCC1(c2ccccc2)CNC1.
What is the InChIKey of (3-phenylazetidin-3-yl)methanol?
The InChIKey is BGORPCNZTLVDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c12-8-10(6-11-7-10)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2.
What are the key properties of (3-phenylazetidin-3-yl)methanol?
(3-phenylazetidin-3-yl)methanol has a molecular weight of 163.22 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylazetidin-3-yl)methanol is sourced from PubChem (CID 14322402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).