(2R)-2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoxy]-1-morpholin-4-ylpropan-1-one

C17H23NO4 — CID 59430964

IUPAC(2R)-2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoxy]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](OC/C=C/c1ccc(CO)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C17H23NO4/c1-14(17(20)18-8-11-21-12-9-18)22-10-2-3-15-4-6-16(13-19)7-5-15/h2-7,14,19H,8-13H2,1H3/b3-2+/t14-/m1/s1
InChIKeyVKFWSQXWFQLPAO-BAABZTOOSA-N
MW305.37 g/mol
LogP1.46
Rot. Bonds6

About (2R)-2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoxy]-1-morpholin-4-ylpropan-1-one

(2R)-2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoxy]-1-morpholin-4-ylpropan-1-one (PubChem CID 59430964) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (2R)-2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoxy]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoxy]-1-morpholin-4-ylpropan-1-one
PubChem CID59430964
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(2R)-2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoxy]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](OC/C=C/c1ccc(CO)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C17H23NO4/c1-14(17(20)18-8-11-21-12-9-18)22-10-2-3-15-4-6-16(13-19)7-5-15/h2-7,14,19H,8-13H2,1H3/b3-2+/t14-/m1/s1
InChIKeyVKFWSQXWFQLPAO-BAABZTOOSA-N
XLogP1.46
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43083069
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
3-bromo-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde
CID 60643504
2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43115804
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one
CID 78767059
2-[(1-aminocyclopentyl)methoxy]-1-morpholin-4-ylpropan-1-one
CID 64574605
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 8790147
2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one
CID 110674004
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807
2-(2-acetylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 43083116
2-(3-hydroxy-2-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 43143211

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoxy]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoxy]-1-morpholin-4-ylpropan-1-one (CID 59430964) is (2R)-2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoxy]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoxy]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoxy]-1-morpholin-4-ylpropan-1-one is C[C@@H](OC/C=C/c1ccc(CO)cc1)C(=O)N1CCOCC1.
What is the InChIKey of (2R)-2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoxy]-1-morpholin-4-ylpropan-1-one?
The InChIKey is VKFWSQXWFQLPAO-BAABZTOOSA-N. The full InChI is InChI=1S/C17H23NO4/c1-14(17(20)18-8-11-21-12-9-18)22-10-2-3-15-4-6-16(13-19)7-5-15/h2-7,14,19H,8-13H2,1H3/b3-2+/t14-/m1/s1.
What are the key properties of (2R)-2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoxy]-1-morpholin-4-ylpropan-1-one?
(2R)-2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoxy]-1-morpholin-4-ylpropan-1-one has a molecular weight of 305.37 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoxy]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 59430964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).