[(2R)-1-benzylazetidin-2-yl]-diphenylmethanol

C23H23NO — CID 12035662

IUPAC[(2R)-1-benzylazetidin-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H]1CCN1Cc1ccccc1
InChIInChI=1S/C23H23NO/c25-23(20-12-6-2-7-13-20,21-14-8-3-9-15-21)22-16-17-24(22)18-19-10-4-1-5-11-19/h1-15,22,25H,16-18H2/t22-/m1/s1
InChIKeyHNMUJJKDIVNBLW-JOCHJYFZSA-N
MW329.44 g/mol
LogP4.20
Rot. Bonds5

About [(2R)-1-benzylazetidin-2-yl]-diphenylmethanol

[(2R)-1-benzylazetidin-2-yl]-diphenylmethanol (PubChem CID 12035662) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is [(2R)-1-benzylazetidin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(2R)-1-benzylazetidin-2-yl]-diphenylmethanol
PubChem CID12035662
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name[(2R)-1-benzylazetidin-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H]1CCN1Cc1ccccc1
InChIInChI=1S/C23H23NO/c25-23(20-12-6-2-7-13-20,21-14-8-3-9-15-21)22-16-17-24(22)18-19-10-4-1-5-11-19/h1-15,22,25H,16-18H2/t22-/m1/s1
InChIKeyHNMUJJKDIVNBLW-JOCHJYFZSA-N
XLogP4.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol
CID 11792818
[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol
CID 53235722
lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate
CID 102371983
4-fluoro-2,6-bis[[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenol
CID 102270483
2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 83982308
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
2,6-bis[[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]-4-methylphenol;ethane;zinc
CID 134991209
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
[(2S)-1-methylaziridin-2-yl]-diphenylmethanol
CID 101268186
[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 4678685

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-benzylazetidin-2-yl]-diphenylmethanol?
The IUPAC name of [(2R)-1-benzylazetidin-2-yl]-diphenylmethanol (CID 12035662) is [(2R)-1-benzylazetidin-2-yl]-diphenylmethanol.
What is the SMILES notation for [(2R)-1-benzylazetidin-2-yl]-diphenylmethanol?
The canonical SMILES for [(2R)-1-benzylazetidin-2-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)[C@H]1CCN1Cc1ccccc1.
What is the InChIKey of [(2R)-1-benzylazetidin-2-yl]-diphenylmethanol?
The InChIKey is HNMUJJKDIVNBLW-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23NO/c25-23(20-12-6-2-7-13-20,21-14-8-3-9-15-21)22-16-17-24(22)18-19-10-4-1-5-11-19/h1-15,22,25H,16-18H2/t22-/m1/s1.
What are the key properties of [(2R)-1-benzylazetidin-2-yl]-diphenylmethanol?
[(2R)-1-benzylazetidin-2-yl]-diphenylmethanol has a molecular weight of 329.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-benzylazetidin-2-yl]-diphenylmethanol is sourced from PubChem (CID 12035662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).