methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate

C14H17NO5 — CID 80706522

IUPACmethyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)Cc2ccc(O)cc2)CCO1
InChIInChI=1S/C14H17NO5/c1-19-14(18)12-9-15(6-7-20-12)13(17)8-10-2-4-11(16)5-3-10/h2-5,12,16H,6-9H2,1H3
InChIKeyHPEBDWPNUBIZHG-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.34
Rot. Bonds3

About methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate

methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate (PubChem CID 80706522) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate
PubChem CID80706522
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Namemethyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)Cc2ccc(O)cc2)CCO1
InChIInChI=1S/C14H17NO5/c1-19-14(18)12-9-15(6-7-20-12)13(17)8-10-2-4-11(16)5-3-10/h2-5,12,16H,6-9H2,1H3
InChIKeyHPEBDWPNUBIZHG-UHFFFAOYSA-N
XLogP0.34
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate
CID 78926753
methyl 4-[2-(cyclohexen-1-yl)acetyl]morpholine-2-carboxylate
CID 78947765
methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate
CID 78926667
methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate
CID 122159279
N-methyl-4-(2-phenylacetyl)morpholine-2-carboxamide
CID 110268197
(2R)-N-methyl-4-(2-phenylacetyl)morpholine-2-carboxamide
CID 95839396
methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate
CID 78927221
methyl 4-[2-(4-bromophenyl)sulfanylacetyl]morpholine-2-carboxylate
CID 78926878
2-(4-hydroxyphenyl)-1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95545231
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate
CID 78926910

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate (CID 80706522) is methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate is COC(=O)C1CN(C(=O)Cc2ccc(O)cc2)CCO1.
What is the InChIKey of methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate?
The InChIKey is HPEBDWPNUBIZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-14(18)12-9-15(6-7-20-12)13(17)8-10-2-4-11(16)5-3-10/h2-5,12,16H,6-9H2,1H3.
What are the key properties of methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate?
methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate has a molecular weight of 279.29 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate is sourced from PubChem (CID 80706522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).