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

C18H27NO3 — CID 138959729

IUPAC1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)CN1CCOCC1(C)C
InChIInChI=1S/C18H27NO3/c1-4-7-15-8-5-6-9-17(15)22-13-16(20)12-19-10-11-21-14-18(19,2)3/h4-6,8-9,16,20H,1,7,10-14H2,2-3H3
InChIKeyPXDOEVMMGDOEBQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.27
Rot. Bonds7

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

1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol (PubChem CID 138959729) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
PubChem CID138959729
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)CN1CCOCC1(C)C
InChIInChI=1S/C18H27NO3/c1-4-7-15-8-5-6-9-17(15)22-13-16(20)12-19-10-11-21-14-18(19,2)3/h4-6,8-9,16,20H,1,7,10-14H2,2-3H3
InChIKeyPXDOEVMMGDOEBQ-UHFFFAOYSA-N
XLogP2.27
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.27
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
3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 750544
1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride
CID 21236664
1-(4-benzylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2770396
1-(2,3-dihydroindol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 138959543
1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 47527320
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2770383
1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 138959357
1-(3,3-dimethylmorpholin-4-yl)-3-ethoxypropan-2-ol
CID 63932943
1-[2-(oxan-4-yl)benzimidazol-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 138960595
[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-propan-2-ylazanium
CID 6543364
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride
CID 46863768

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol (CID 138959729) is 1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol is C=CCc1ccccc1OCC(O)CN1CCOCC1(C)C.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The InChIKey is PXDOEVMMGDOEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-7-15-8-5-6-9-17(15)22-13-16(20)12-19-10-11-21-14-18(19,2)3/h4-6,8-9,16,20H,1,7,10-14H2,2-3H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol?
1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol has a molecular weight of 305.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol is sourced from PubChem (CID 138959729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).