[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium chloride

C16H18ClNO2 — CID 11140855

IUPAC[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium chloride
SMILES[Cl-].[NH3+][C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO2.ClH/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-;/m0./s1
InChIKeyCEXFHIYDTRNBJD-RSAXXLAASA-N
MW291.78 g/mol
LogP-1.41
Rot. Bonds5

About [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium chloride

[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium chloride (PubChem CID 11140855) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium chloride
PubChem CID11140855
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium chloride
SMILES[Cl-].[NH3+][C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO2.ClH/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-;/m0./s1
InChIKeyCEXFHIYDTRNBJD-RSAXXLAASA-N
XLogP-1.41
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium chloride?
The IUPAC name of [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium chloride (CID 11140855) is [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium chloride.
What is the SMILES notation for [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium chloride?
The canonical SMILES for [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium chloride is [Cl-].[NH3+][C@@H](Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium chloride?
The InChIKey is CEXFHIYDTRNBJD-RSAXXLAASA-N. The full InChI is InChI=1S/C16H17NO2.ClH/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-;/m0./s1.
What are the key properties of [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium chloride?
[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium chloride has a molecular weight of 291.78 g/mol, XLogP of -1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium chloride is sourced from PubChem (CID 11140855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).