4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde

C25H25NO3 — CID 174661002

IUPAC4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde
SMILESO=CC1COC(c2ccc(OCc3ccccc3)cc2)CN1Cc1ccccc1
InChIInChI=1S/C25H25NO3/c27-17-23-19-29-25(16-26(23)15-20-7-3-1-4-8-20)22-11-13-24(14-12-22)28-18-21-9-5-2-6-10-21/h1-14,17,23,25H,15-16,18-19H2
InChIKeyRIFNUSMLDSROKB-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.41
Rot. Bonds7

About 4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde

4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde (PubChem CID 174661002) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde.

Molecular Properties

Compound Name4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde
PubChem CID174661002
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde
SMILESO=CC1COC(c2ccc(OCc3ccccc3)cc2)CN1Cc1ccccc1
InChIInChI=1S/C25H25NO3/c27-17-23-19-29-25(16-26(23)15-20-7-3-1-4-8-20)22-11-13-24(14-12-22)28-18-21-9-5-2-6-10-21/h1-14,17,23,25H,15-16,18-19H2
InChIKeyRIFNUSMLDSROKB-UHFFFAOYSA-N
XLogP4.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde?
The IUPAC name of 4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde (CID 174661002) is 4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde.
What is the SMILES notation for 4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde?
The canonical SMILES for 4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde is O=CC1COC(c2ccc(OCc3ccccc3)cc2)CN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde?
The InChIKey is RIFNUSMLDSROKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c27-17-23-19-29-25(16-26(23)15-20-7-3-1-4-8-20)22-11-13-24(14-12-22)28-18-21-9-5-2-6-10-21/h1-14,17,23,25H,15-16,18-19H2.
What are the key properties of 4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde?
4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde has a molecular weight of 387.48 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde is sourced from PubChem (CID 174661002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).