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

C16H23NO3 — CID 2769774

IUPAC1-morpholin-4-yl-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)CN1CCOCC1
InChIInChI=1S/C16H23NO3/c1-2-5-14-6-3-4-7-16(14)20-13-15(18)12-17-8-10-19-11-9-17/h2-4,6-7,15,18H,1,5,8-13H2
InChIKeyBKDPODVOOWQEGE-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.49
Rot. Bonds7

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

1-morpholin-4-yl-3-(2-prop-2-enylphenoxy)propan-2-ol (PubChem CID 2769774) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(2-prop-2-enylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(2-prop-2-enylphenoxy)propan-2-ol
PubChem CID2769774
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-morpholin-4-yl-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)CN1CCOCC1
InChIInChI=1S/C16H23NO3/c1-2-5-14-6-3-4-7-16(14)20-13-15(18)12-17-8-10-19-11-9-17/h2-4,6-7,15,18H,1,5,8-13H2
InChIKeyBKDPODVOOWQEGE-UHFFFAOYSA-N
XLogP1.49
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(2-prop-2-enylphenoxy)propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-(2-prop-2-enylphenoxy)propan-2-ol (CID 2769774) is 1-morpholin-4-yl-3-(2-prop-2-enylphenoxy)propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-(2-prop-2-enylphenoxy)propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-(2-prop-2-enylphenoxy)propan-2-ol is C=CCc1ccccc1OCC(O)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(2-prop-2-enylphenoxy)propan-2-ol?
The InChIKey is BKDPODVOOWQEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-5-14-6-3-4-7-16(14)20-13-15(18)12-17-8-10-19-11-9-17/h2-4,6-7,15,18H,1,5,8-13H2.
What are the key properties of 1-morpholin-4-yl-3-(2-prop-2-enylphenoxy)propan-2-ol?
1-morpholin-4-yl-3-(2-prop-2-enylphenoxy)propan-2-ol has a molecular weight of 277.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(2-prop-2-enylphenoxy)propan-2-ol is sourced from PubChem (CID 2769774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).