[(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol

C12H17NO — CID 101250937

IUPAC[(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol
SMILESC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C
InChIInChI=1S/C12H17NO/c1-9-12(11(8-14)13(9)2)10-6-4-3-5-7-10/h3-7,9,11-12,14H,8H2,1-2H3/t9-,11-,12+/m0/s1
InChIKeyNQBUOWNDIIEJKL-ZMLRMANQSA-N
MW191.27 g/mol
LogP1.47
Rot. Bonds2

About [(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol

[(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol (PubChem CID 101250937) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol
PubChem CID101250937
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol
SMILESC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C
InChIInChI=1S/C12H17NO/c1-9-12(11(8-14)13(9)2)10-6-4-3-5-7-10/h3-7,9,11-12,14H,8H2,1-2H3/t9-,11-,12+/m0/s1
InChIKeyNQBUOWNDIIEJKL-ZMLRMANQSA-N
XLogP1.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol?
The IUPAC name of [(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol (CID 101250937) is [(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol.
What is the SMILES notation for [(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol?
The canonical SMILES for [(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol is C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C.
What is the InChIKey of [(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol?
The InChIKey is NQBUOWNDIIEJKL-ZMLRMANQSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-12(11(8-14)13(9)2)10-6-4-3-5-7-10/h3-7,9,11-12,14H,8H2,1-2H3/t9-,11-,12+/m0/s1.
What are the key properties of [(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol?
[(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol has a molecular weight of 191.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol is sourced from PubChem (CID 101250937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).