CAS 18621-17-5|CAS 1862-17-5|1-(diphenylmethyl)azetidin-3-ol|1-Benzhydrylazetan-3-ol|1-(diphenylmethyl)azetidin-3-ol|1-Benzhydrylazetidin-3-ol|1-(Diphenylmethyl)-3-hydroxyazetidine 97%|1-(Diphenylme...

General Information

Structure

Molecular Formula

C₁₆H₁₇NO

Molecular Mass

239.31228

Exact Mass

239.13101417

Charge

InChI

InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2

InChIKey

MMAJXKGUZYDTHV-UHFFFAOYSA-N

Canonic Smiles

OC1CN(C1)C(c1ccccc1)c1ccccc1

Isomeric Smiles

N1(CC(C1)O)C(c1ccccc1)c1ccccc1

Calculated Properties

JChem

Acid pKa

14.790377

H Acceptors

H Donor

LogD (pH = 5.5)

1.3773568

LogD (pH = 7.4)

2.7484078

Log P

2.897023

Molar Refractivity

72.877

Polarizability

28.743948

Polar Surface Area

23.47

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1-(diphenylmethyl)azetidin-3-ol

IUPAC Traditional name

1-(diphenylmethyl)azetidin-3-ol

Synonyms

1-Benzhydrylazetan-3-ol1-Benzhydrylazetidin-3-ol1-(Diphenylmethyl)-3-hydroxyazetidine 97%1-(Diphenylmethyl)azetidin-3-ol1-Benzydrylazetan-3-ol1-(diphenylmethyl)azetidin-3-ol1-benzhydrylazetidin-3-ol1-(Diphenylmethyl)-3-azetidinolNSC 3190451-(Diphenylmethyl)-3-hydroxyazetinide1-(Diphenylmethyl)-3-hydroxyazetidine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties