4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine

C18H27NO3 — CID 50972297

IUPAC4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine
SMILESCCOc1cccc(C[C@@H]2CC[C@H](CN3CCOCC3)O2)c1
InChIInChI=1S/C18H27NO3/c1-2-21-16-5-3-4-15(12-16)13-17-6-7-18(22-17)14-19-8-10-20-11-9-19/h3-5,12,17-18H,2,6-11,13-14H2,1H3/t17-,18+/m0/s1
InChIKeyZCZYKOFLZOUAGT-ZWKOTPCHSA-N
MW305.42 g/mol
LogP2.51
Rot. Bonds6

About 4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine

4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine (PubChem CID 50972297) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine
PubChem CID50972297
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine
SMILESCCOc1cccc(C[C@@H]2CC[C@H](CN3CCOCC3)O2)c1
InChIInChI=1S/C18H27NO3/c1-2-21-16-5-3-4-15(12-16)13-17-6-7-18(22-17)14-19-8-10-20-11-9-19/h3-5,12,17-18H,2,6-11,13-14H2,1H3/t17-,18+/m0/s1
InChIKeyZCZYKOFLZOUAGT-ZWKOTPCHSA-N
XLogP2.51
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine?
The IUPAC name of 4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine (CID 50972297) is 4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine is CCOc1cccc(C[C@@H]2CC[C@H](CN3CCOCC3)O2)c1.
What is the InChIKey of 4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine?
The InChIKey is ZCZYKOFLZOUAGT-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H27NO3/c1-2-21-16-5-3-4-15(12-16)13-17-6-7-18(22-17)14-19-8-10-20-11-9-19/h3-5,12,17-18H,2,6-11,13-14H2,1H3/t17-,18+/m0/s1.
What are the key properties of 4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine?
4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine has a molecular weight of 305.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,5S)-5-[(3-ethoxyphenyl)methyl]oxolan-2-yl]methyl]morpholine is sourced from PubChem (CID 50972297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).