(R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol

C12H16ClNO — CID 155126922

IUPAC(R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol
SMILESCC1(C)C[C@H]([C@H](O)c2cccc(Cl)c2)N1
InChIInChI=1S/C12H16ClNO/c1-12(2)7-10(14-12)11(15)8-4-3-5-9(13)6-8/h3-6,10-11,14-15H,7H2,1-2H3/t10-,11-/m1/s1
InChIKeyBMPRLBYLHQVOOH-GHMZBOCLSA-N
MW225.72 g/mol
LogP2.51
Rot. Bonds2

About (R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol

(R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol (PubChem CID 155126922) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol.

Molecular Properties

Compound Name(R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol
PubChem CID155126922
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol
SMILESCC1(C)C[C@H]([C@H](O)c2cccc(Cl)c2)N1
InChIInChI=1S/C12H16ClNO/c1-12(2)7-10(14-12)11(15)8-4-3-5-9(13)6-8/h3-6,10-11,14-15H,7H2,1-2H3/t10-,11-/m1/s1
InChIKeyBMPRLBYLHQVOOH-GHMZBOCLSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol with MolForge

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Related Compounds

(Z)-but-2-enedioic acid;(S)-(3-chlorophenyl)-(4,4-dimethylazetidin-2-yl)methanol
CID 155127072
(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol
CID 155134327
(R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride
CID 155126943
(S)-(3-chlorophenyl)-[(3S)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol
CID 163219268
(R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride
CID 163219237
bis[(S)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methyl] (Z)-but-2-enedioate
CID 155127069
1-[5-[(3-chlorophenyl)-hydroxymethyl]-2-propanoylpyrrolidin-2-yl]propan-1-one
CID 70517621
(3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol
CID 170314593
tert-butyl (4R)-4-[(R)-(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylate
CID 162391381
3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol
CID 155134303
(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol
CID 162391391
(S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride
CID 163219221

Frequently Asked Questions

What is the IUPAC name of (R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol?
The IUPAC name of (R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol (CID 155126922) is (R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol.
What is the SMILES notation for (R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol?
The canonical SMILES for (R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol is CC1(C)C[C@H]([C@H](O)c2cccc(Cl)c2)N1.
What is the InChIKey of (R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol?
The InChIKey is BMPRLBYLHQVOOH-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-12(2)7-10(14-12)11(15)8-4-3-5-9(13)6-8/h3-6,10-11,14-15H,7H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol?
(R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol has a molecular weight of 225.72 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol is sourced from PubChem (CID 155126922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).