(2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine

C18H27NO3 — CID 888280

IUPAC(2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine
SMILESC=CCc1ccc(OCCN2C[C@@H](C)O[C@H](C)C2)c(OC)c1
InChIInChI=1S/C18H27NO3/c1-5-6-16-7-8-17(18(11-16)20-4)21-10-9-19-12-14(2)22-15(3)13-19/h5,7-8,11,14-15H,1,6,9-10,12-13H2,2-4H3/t14-,15-/m1/s1
InChIKeyJUXXSMUBYNMCER-HUUCEWRRSA-N
MW305.42 g/mol
LogP2.91
Rot. Bonds7

About (2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine

(2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine (PubChem CID 888280) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine
PubChem CID888280
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine
SMILESC=CCc1ccc(OCCN2C[C@@H](C)O[C@H](C)C2)c(OC)c1
InChIInChI=1S/C18H27NO3/c1-5-6-16-7-8-17(18(11-16)20-4)21-10-9-19-12-14(2)22-15(3)13-19/h5,7-8,11,14-15H,1,6,9-10,12-13H2,2-4H3/t14-,15-/m1/s1
InChIKeyJUXXSMUBYNMCER-HUUCEWRRSA-N
XLogP2.91
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2184926
(3R,5R)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]-3,5-dimethylpiperidine
CID 7413062
(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 887366
(2R,6R)-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-2,6-dimethylmorpholine
CID 7413033
2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine
CID 2995550
(2R,6R)-2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine
CID 7379931
1-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-methoxyphenyl]ethanone
CID 7379476
1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine
CID 2977166
(3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine
CID 2182848
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 16614115

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine (CID 888280) is (2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine is C=CCc1ccc(OCCN2C[C@@H](C)O[C@H](C)C2)c(OC)c1.
What is the InChIKey of (2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine?
The InChIKey is JUXXSMUBYNMCER-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-6-16-7-8-17(18(11-16)20-4)21-10-9-19-12-14(2)22-15(3)13-19/h5,7-8,11,14-15H,1,6,9-10,12-13H2,2-4H3/t14-,15-/m1/s1.
What are the key properties of (2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine?
(2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine has a molecular weight of 305.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 888280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).