methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate

C13H17NO5 — CID 117421323

IUPACmethyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate
SMILESCOC(=O)C(O)c1cc(N2CCOCC2)ccc1O
InChIInChI=1S/C13H17NO5/c1-18-13(17)12(16)10-8-9(2-3-11(10)15)14-4-6-19-7-5-14/h2-3,8,12,15-16H,4-7H2,1H3
InChIKeyUACRPPWKBCCRGS-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.44
Rot. Bonds3

About methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate

methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate (PubChem CID 117421323) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate
PubChem CID117421323
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namemethyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate
SMILESCOC(=O)C(O)c1cc(N2CCOCC2)ccc1O
InChIInChI=1S/C13H17NO5/c1-18-13(17)12(16)10-8-9(2-3-11(10)15)14-4-6-19-7-5-14/h2-3,8,12,15-16H,4-7H2,1H3
InChIKeyUACRPPWKBCCRGS-UHFFFAOYSA-N
XLogP0.44
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate
CID 117380930
methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate
CID 117108710
methyl 2-hydroxy-2-(5-methyl-2-morpholin-4-ylphenyl)acetate
CID 117417055
methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate
CID 117108709
2-amino-1-(2-methoxy-5-morpholin-4-ylphenyl)ethanol
CID 117384184
3-(2-hydroxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117380858
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate
CID 117305027
2-chloro-5-morpholin-4-ylphenol
CID 84679971
4-morpholin-4-yl-2-propan-2-ylaniline
CID 91671939
methyl (2S)-2-acetamido-3-(4-morpholin-4-ylphenyl)propanoate
CID 75176217
2-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 142676470

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate (CID 117421323) is methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate is COC(=O)C(O)c1cc(N2CCOCC2)ccc1O.
What is the InChIKey of methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate?
The InChIKey is UACRPPWKBCCRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-18-13(17)12(16)10-8-9(2-3-11(10)15)14-4-6-19-7-5-14/h2-3,8,12,15-16H,4-7H2,1H3.
What are the key properties of methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate?
methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate has a molecular weight of 267.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate is sourced from PubChem (CID 117421323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).