methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate

C16H23NO4 — CID 79827517

IUPACmethyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CC(C)(O)c2ccccc2)CCO1
InChIInChI=1S/C16H23NO4/c1-16(19,13-6-4-3-5-7-13)12-17-8-9-21-14(11-17)10-15(18)20-2/h3-7,14,19H,8-12H2,1-2H3
InChIKeySQWJNZXNXBQEKY-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.16
Rot. Bonds5

About methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate

methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate (PubChem CID 79827517) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate
PubChem CID79827517
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CC(C)(O)c2ccccc2)CCO1
InChIInChI=1S/C16H23NO4/c1-16(19,13-6-4-3-5-7-13)12-17-8-9-21-14(11-17)10-15(18)20-2/h3-7,14,19H,8-12H2,1-2H3
InChIKeySQWJNZXNXBQEKY-UHFFFAOYSA-N
XLogP1.16
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol
CID 113251778
methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate
CID 75361746
(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100841955
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
CID 79822697
2-phenyl-1-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 56780681
(2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 95610148
methyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate
CID 122154345
methyl (3S)-1-(2-hydroxy-2-phenylpropyl)piperidine-3-carboxylate
CID 79037956
methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
CID 104775007
methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
CID 79771144
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate (CID 79827517) is methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate is COC(=O)CC1CN(CC(C)(O)c2ccccc2)CCO1.
What is the InChIKey of methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate?
The InChIKey is SQWJNZXNXBQEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(19,13-6-4-3-5-7-13)12-17-8-9-21-14(11-17)10-15(18)20-2/h3-7,14,19H,8-12H2,1-2H3.
What are the key properties of methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate?
methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate has a molecular weight of 293.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79827517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).