phenyl-(3-phenyloxaziridin-3-yl)methanol

C14H13NO2 — CID 88777993

IUPACphenyl-(3-phenyloxaziridin-3-yl)methanol
SMILESOC(c1ccccc1)C1(c2ccccc2)NO1
InChIInChI=1S/C14H13NO2/c16-13(11-7-3-1-4-8-11)14(15-17-14)12-9-5-2-6-10-12/h1-10,13,15-16H
InChIKeyMUDQINKPDNBARS-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.11
Rot. Bonds3

About phenyl-(3-phenyloxaziridin-3-yl)methanol

phenyl-(3-phenyloxaziridin-3-yl)methanol (PubChem CID 88777993) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is phenyl-(3-phenyloxaziridin-3-yl)methanol.

Molecular Properties

Compound Namephenyl-(3-phenyloxaziridin-3-yl)methanol
PubChem CID88777993
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Namephenyl-(3-phenyloxaziridin-3-yl)methanol
SMILESOC(c1ccccc1)C1(c2ccccc2)NO1
InChIInChI=1S/C14H13NO2/c16-13(11-7-3-1-4-8-11)14(15-17-14)12-9-5-2-6-10-12/h1-10,13,15-16H
InChIKeyMUDQINKPDNBARS-UHFFFAOYSA-N
XLogP2.11
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl-(3-phenyloxaziridin-3-yl)methanol?
The IUPAC name of phenyl-(3-phenyloxaziridin-3-yl)methanol (CID 88777993) is phenyl-(3-phenyloxaziridin-3-yl)methanol.
What is the SMILES notation for phenyl-(3-phenyloxaziridin-3-yl)methanol?
The canonical SMILES for phenyl-(3-phenyloxaziridin-3-yl)methanol is OC(c1ccccc1)C1(c2ccccc2)NO1.
What is the InChIKey of phenyl-(3-phenyloxaziridin-3-yl)methanol?
The InChIKey is MUDQINKPDNBARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-13(11-7-3-1-4-8-11)14(15-17-14)12-9-5-2-6-10-12/h1-10,13,15-16H.
What are the key properties of phenyl-(3-phenyloxaziridin-3-yl)methanol?
phenyl-(3-phenyloxaziridin-3-yl)methanol has a molecular weight of 227.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-phenyloxaziridin-3-yl)methanol is sourced from PubChem (CID 88777993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).