4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine

C27H31NO3 — CID 170870322

IUPAC4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine
SMILESc1ccc(COc2ccc(OCc3ccccc3)c(CCCN3CCOCC3)c2)cc1
InChIInChI=1S/C27H31NO3/c1-3-8-23(9-4-1)21-30-26-13-14-27(31-22-24-10-5-2-6-11-24)25(20-26)12-7-15-28-16-18-29-19-17-28/h1-6,8-11,13-14,20H,7,12,15-19,21-22H2
InChIKeyUEIBPHKVKQMWPN-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.11
Rot. Bonds10

About 4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine

4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine (PubChem CID 170870322) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine
PubChem CID170870322
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC Name4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine
SMILESc1ccc(COc2ccc(OCc3ccccc3)c(CCCN3CCOCC3)c2)cc1
InChIInChI=1S/C27H31NO3/c1-3-8-23(9-4-1)21-30-26-13-14-27(31-22-24-10-5-2-6-11-24)25(20-26)12-7-15-28-16-18-29-19-17-28/h1-6,8-11,13-14,20H,7,12,15-19,21-22H2
InChIKeyUEIBPHKVKQMWPN-UHFFFAOYSA-N
XLogP5.11
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine
CID 130178723
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
4-[3-[2-[(3-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870365
4-[3-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870408
3-[2,5-bis(phenylmethoxy)phenyl]propan-1-ol
CID 86006432
4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
CID 170869415
4-[3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870417
1-[3-(5-bromo-2-phenylmethoxyphenyl)propyl]-4-methylpiperazine
CID 170863402
4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869436
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870233

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine (CID 170870322) is 4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine is c1ccc(COc2ccc(OCc3ccccc3)c(CCCN3CCOCC3)c2)cc1.
What is the InChIKey of 4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine?
The InChIKey is UEIBPHKVKQMWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3/c1-3-8-23(9-4-1)21-30-26-13-14-27(31-22-24-10-5-2-6-11-24)25(20-26)12-7-15-28-16-18-29-19-17-28/h1-6,8-11,13-14,20H,7,12,15-19,21-22H2.
What are the key properties of 4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine?
4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine has a molecular weight of 417.55 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine is sourced from PubChem (CID 170870322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).