methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate

C15H20O5 — CID 117239792

IUPACmethyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate
SMILESCOC(=O)C(COc1ccc(O)cc1)C1CCOCC1
InChIInChI=1S/C15H20O5/c1-18-15(17)14(11-6-8-19-9-7-11)10-20-13-4-2-12(16)3-5-13/h2-5,11,14,16H,6-10H2,1H3
InChIKeyJGCLXOZZULOSSG-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.99
Rot. Bonds5

About methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate

methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate (PubChem CID 117239792) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate
PubChem CID117239792
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namemethyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate
SMILESCOC(=O)C(COc1ccc(O)cc1)C1CCOCC1
InChIInChI=1S/C15H20O5/c1-18-15(17)14(11-6-8-19-9-7-11)10-20-13-4-2-12(16)3-5-13/h2-5,11,14,16H,6-10H2,1H3
InChIKeyJGCLXOZZULOSSG-UHFFFAOYSA-N
XLogP1.99
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate 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 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate
CID 117238402
methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate
CID 117245908
methyl 3-methoxy-2-(oxan-4-yl)propanoate
CID 117239855
3-(4-chlorophenoxy)-2-(oxan-4-yl)propanoic acid
CID 117239787
2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
CID 117239836
methyl 3-(3-hydroxyphenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238371
2-(1,1-dioxothian-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
CID 117239796
2-(4-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
CID 55182267
methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate
CID 117238072
1-[4-[2-hydroxy-3-(oxan-4-ylamino)propoxy]phenyl]ethanone;hydrochloride
CID 122714551
methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate
CID 117239760
methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate
CID 117245315

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate?
The IUPAC name of methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate (CID 117239792) is methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate.
What is the SMILES notation for methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate?
The canonical SMILES for methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate is COC(=O)C(COc1ccc(O)cc1)C1CCOCC1.
What is the InChIKey of methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate?
The InChIKey is JGCLXOZZULOSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-18-15(17)14(11-6-8-19-9-7-11)10-20-13-4-2-12(16)3-5-13/h2-5,11,14,16H,6-10H2,1H3.
What are the key properties of methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate?
methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate has a molecular weight of 280.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate is sourced from PubChem (CID 117239792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).