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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Related Compounds

(6R)-4-ethyl-6-(4-phenylmethoxyphenyl)morpholin-3-one
CID 67354065
(2R)-2-(4-phenylmethoxyphenyl)morpholine-4-carboxylic acid
CID 68617082
(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352433
(6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one
CID 67352063
2-(2-chloro-4-phenylmethoxyphenyl)oxirane
CID 146020828
2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one
CID 56668686
2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol
CID 72966586
1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
CID 125154534
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
4-benzyl-2,2-dimethyl-6-(4-phenylmethoxyphenyl)morpholin-3-one;4-benzyl-2-methyl-6-(4-phenylmethoxyphenyl)morpholin-3-one
CID 159363121
(2R)-1,4-dibenzylpiperazine-2-carbaldehyde
CID 124566770
(1S,9S)-5,13-bis(phenylmethoxy)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 101036078

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).