4-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]morpholine

C17H21NO2 — CID 171974638

IUPAC4-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]morpholine
SMILESC1=C(c2ccc(N3CCOCC3)cc2)CC2CCC1O2
InChIInChI=1S/C17H21NO2/c1-3-15(18-7-9-19-10-8-18)4-2-13(1)14-11-16-5-6-17(12-14)20-16/h1-4,11,16-17H,5-10,12H2
InChIKeyPHHGUNHEODRKLZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.86
Rot. Bonds2

About 4-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]morpholine

4-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]morpholine (PubChem CID 171974638) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]morpholine
PubChem CID171974638
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]morpholine
SMILESC1=C(c2ccc(N3CCOCC3)cc2)CC2CCC1O2
InChIInChI=1S/C17H21NO2/c1-3-15(18-7-9-19-10-8-18)4-2-13(1)14-11-16-5-6-17(12-14)20-16/h1-4,11,16-17H,5-10,12H2
InChIKeyPHHGUNHEODRKLZ-UHFFFAOYSA-N
XLogP2.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
1-(4-morpholin-4-ylphenyl)piperidin-4-amine
CID 63180022
(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781
4-[4-(2H-tetrazol-5-yl)phenyl]morpholine
CID 863212
4-(4-isocyanophenyl)morpholine
CID 2771564
[4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene
CID 118528756
5-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 138736841
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180

Frequently Asked Questions

What is the IUPAC name of 4-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]morpholine (CID 171974638) is 4-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]morpholine is C1=C(c2ccc(N3CCOCC3)cc2)CC2CCC1O2.
What is the InChIKey of 4-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]morpholine?
The InChIKey is PHHGUNHEODRKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-15(18-7-9-19-10-8-18)4-2-13(1)14-11-16-5-6-17(12-14)20-16/h1-4,11,16-17H,5-10,12H2.
What are the key properties of 4-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]morpholine?
4-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]morpholine has a molecular weight of 271.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]morpholine is sourced from PubChem (CID 171974638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).