4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine

C20H25NO3 — CID 167513814

IUPAC4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine
SMILESc1ccc(COCCCOc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C20H25NO3/c1-2-7-18(8-3-1)17-23-13-6-14-24-20-10-5-4-9-19(20)21-11-15-22-16-12-21/h1-5,7-10H,6,11-17H2
InChIKeyCJBHVEFBPQPKEU-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.51
Rot. Bonds8

About 4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine

4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine (PubChem CID 167513814) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine.

Molecular Properties

Compound Name4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine
PubChem CID167513814
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine
SMILESc1ccc(COCCCOc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C20H25NO3/c1-2-7-18(8-3-1)17-23-13-6-14-24-20-10-5-4-9-19(20)21-11-15-22-16-12-21/h1-5,7-10H,6,11-17H2
InChIKeyCJBHVEFBPQPKEU-UHFFFAOYSA-N
XLogP3.51
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 13333
CID 13333
CID 121102
CID 121102
CID 22615724
CID 22615724
CID 3826471
CID 3826471
CID 3050372
CID 3050372
CID 54598062
CID 54598062
CID 91937906
CID 91937906
CID 5123423
CID 5123423
CID 12996705
CID 12996705
CID 45483466
CID 45483466
CID 60168729
CID 60168729
CID 12741853
CID 12741853

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine?
The IUPAC name of 4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine (CID 167513814) is 4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine.
What is the SMILES notation for 4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine?
The canonical SMILES for 4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine is c1ccc(COCCCOc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of 4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine?
The InChIKey is CJBHVEFBPQPKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-2-7-18(8-3-1)17-23-13-6-14-24-20-10-5-4-9-19(20)21-11-15-22-16-12-21/h1-5,7-10H,6,11-17H2.
What are the key properties of 4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine?
4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine has a molecular weight of 327.42 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine is sourced from PubChem (CID 167513814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).