4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine

C28H29NO3 — CID 101291612

IUPAC4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine
SMILESCOc1ccc2c(c1)=CC(c1ccccc1)(c1ccc(OCCN3CCOCC3)cc1)C=2
InChIInChI=1S/C28H29NO3/c1-30-27-10-7-22-20-28(21-23(22)19-27,24-5-3-2-4-6-24)25-8-11-26(12-9-25)32-18-15-29-13-16-31-17-14-29/h2-12,19-21H,13-18H2,1H3
InChIKeyQIJQAAOHFUWACF-UHFFFAOYSA-N
MW427.54 g/mol
LogP2.97
Rot. Bonds7

About 4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine

4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine (PubChem CID 101291612) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is 4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine
PubChem CID101291612
Molecular FormulaC28H29NO3
Molecular Weight427.54 g/mol
Exact Mass427.21
IUPAC Name4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine
SMILESCOc1ccc2c(c1)=CC(c1ccccc1)(c1ccc(OCCN3CCOCC3)cc1)C=2
InChIInChI=1S/C28H29NO3/c1-30-27-10-7-22-20-28(21-23(22)19-27,24-5-3-2-4-6-24)25-8-11-26(12-9-25)32-18-15-29-13-16-31-17-14-29/h2-12,19-21H,13-18H2,1H3
InChIKeyQIJQAAOHFUWACF-UHFFFAOYSA-N
XLogP2.97
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline
CID 68685508
4-[2-[3-(1-methylcyclopropyl)phenoxy]ethyl]morpholine
CID 143919423
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 143832588
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one
CID 67043666
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
CID 113443476

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine (CID 101291612) is 4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine is COc1ccc2c(c1)=CC(c1ccccc1)(c1ccc(OCCN3CCOCC3)cc1)C=2.
What is the InChIKey of 4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine?
The InChIKey is QIJQAAOHFUWACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO3/c1-30-27-10-7-22-20-28(21-23(22)19-27,24-5-3-2-4-6-24)25-8-11-26(12-9-25)32-18-15-29-13-16-31-17-14-29/h2-12,19-21H,13-18H2,1H3.
What are the key properties of 4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine?
4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine has a molecular weight of 427.54 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 101291612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).