methyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride

C9H12ClNO2 — CID 12916643

IUPACmethyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride
SMILESCl.[H]/N=C(\OC)[C@H](O)c1ccccc1
InChIInChI=1S/C9H11NO2.ClH/c1-12-9(10)8(11)7-5-3-2-4-6-7;/h2-6,8,10-11H,1H3;1H/b10-9-;/t8-;/m1./s1
InChIKeyNHNLQULDOWMTKL-SDNUUBJUSA-N
MW201.65 g/mol
LogP1.77
Rot. Bonds2

About methyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride

methyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride (PubChem CID 12916643) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride
PubChem CID12916643
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Namemethyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride
SMILESCl.[H]/N=C(\OC)[C@H](O)c1ccccc1
InChIInChI=1S/C9H11NO2.ClH/c1-12-9(10)8(11)7-5-3-2-4-6-7;/h2-6,8,10-11H,1H3;1H/b10-9-;/t8-;/m1./s1
InChIKeyNHNLQULDOWMTKL-SDNUUBJUSA-N
XLogP1.77
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride?
The IUPAC name of methyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride (CID 12916643) is methyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride?
The canonical SMILES for methyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride is Cl.[H]/N=C(\OC)[C@H](O)c1ccccc1.
What is the InChIKey of methyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride?
The InChIKey is NHNLQULDOWMTKL-SDNUUBJUSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-12-9(10)8(11)7-5-3-2-4-6-7;/h2-6,8,10-11H,1H3;1H/b10-9-;/t8-;/m1./s1.
What are the key properties of methyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride?
methyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-2-phenylethanimidate;hydrochloride is sourced from PubChem (CID 12916643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).