4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine

C14H19NO3 — CID 142614400

IUPAC4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine
SMILESCc1ccc(OC[C@@H]2CO2)c(N2CCOCC2)c1
InChIInChI=1S/C14H19NO3/c1-11-2-3-14(18-10-12-9-17-12)13(8-11)15-4-6-16-7-5-15/h2-3,8,12H,4-7,9-10H2,1H3/t12-/m0/s1
InChIKeyIRBZFQLAQUXTIS-LBPRGKRZSA-N
MW249.31 g/mol
LogP1.61
Rot. Bonds4

About 4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine

4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine (PubChem CID 142614400) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine.

Molecular Properties

Compound Name4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine
PubChem CID142614400
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine
SMILESCc1ccc(OC[C@@H]2CO2)c(N2CCOCC2)c1
InChIInChI=1S/C14H19NO3/c1-11-2-3-14(18-10-12-9-17-12)13(8-11)15-4-6-16-7-5-15/h2-3,8,12H,4-7,9-10H2,1H3/t12-/m0/s1
InChIKeyIRBZFQLAQUXTIS-LBPRGKRZSA-N
XLogP1.61
TPSA34.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine?
The IUPAC name of 4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine (CID 142614400) is 4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine.
What is the SMILES notation for 4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine?
The canonical SMILES for 4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine is Cc1ccc(OC[C@@H]2CO2)c(N2CCOCC2)c1.
What is the InChIKey of 4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine?
The InChIKey is IRBZFQLAQUXTIS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-2-3-14(18-10-12-9-17-12)13(8-11)15-4-6-16-7-5-15/h2-3,8,12H,4-7,9-10H2,1H3/t12-/m0/s1.
What are the key properties of 4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine?
4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine has a molecular weight of 249.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine is sourced from PubChem (CID 142614400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).