1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride

C18H27ClNO3- — CID 21236664

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride
SMILESC=CCc1ccccc1OCC(O)CN1CC(C)OC(C)C1.[Cl-]
InChIInChI=1S/C18H27NO3.ClH/c1-4-7-16-8-5-6-9-18(16)21-13-17(20)12-19-10-14(2)22-15(3)11-19;/h4-6,8-9,14-15,17,20H,1,7,10-13H2,2-3H3;1H/p-1
InChIKeyBFVSXZULIZYSKR-UHFFFAOYSA-M
MW340.87 g/mol
LogP-0.73
Rot. Bonds7

About 1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride

1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride (PubChem CID 21236664) has the molecular formula C18H27ClNO3- and a molecular weight of 340.87 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride
PubChem CID21236664
Molecular FormulaC18H27ClNO3-
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride
SMILESC=CCc1ccccc1OCC(O)CN1CC(C)OC(C)C1.[Cl-]
InChIInChI=1S/C18H27NO3.ClH/c1-4-7-16-8-5-6-9-18(16)21-13-17(20)12-19-10-14(2)22-15(3)11-19;/h4-6,8-9,14-15,17,20H,1,7,10-13H2,2-3H3;1H/p-1
InChIKeyBFVSXZULIZYSKR-UHFFFAOYSA-M
XLogP-0.73
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 723040
1-[2-(aminomethyl)phenoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43253374
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43173893
1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 4137276
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 7125674
1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
CID 16807392
1-(2,6-dimethylmorpholin-4-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 16807205
1-(4-benzylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2770396
(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-nitrophenoxy)propan-2-ol
CID 92945969
1-(2,6-dimethylmorpholin-4-yl)-3-quinolin-8-yloxypropan-2-ol
CID 109412607
1-(2,6-dimethoxyphenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 3530693

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride (CID 21236664) is 1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride is C=CCc1ccccc1OCC(O)CN1CC(C)OC(C)C1.[Cl-].
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride?
The InChIKey is BFVSXZULIZYSKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H27NO3.ClH/c1-4-7-16-8-5-6-9-18(16)21-13-17(20)12-19-10-14(2)22-15(3)11-19;/h4-6,8-9,14-15,17,20H,1,7,10-13H2,2-3H3;1H/p-1.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride?
1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride has a molecular weight of 340.87 g/mol, XLogP of -0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride is sourced from PubChem (CID 21236664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).