methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate

C17H18O4 — CID 117244304

IUPACmethyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate
SMILESCOC(=O)C(COc1ccccc1O)c1ccccc1C
InChIInChI=1S/C17H18O4/c1-12-7-3-4-8-13(12)14(17(19)20-2)11-21-16-10-6-5-9-15(16)18/h3-10,14,18H,11H2,1-2H3
InChIKeyQEDRSCAOUKSNSK-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.04
Rot. Bonds5

About methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate

methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate (PubChem CID 117244304) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate
PubChem CID117244304
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namemethyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate
SMILESCOC(=O)C(COc1ccccc1O)c1ccccc1C
InChIInChI=1S/C17H18O4/c1-12-7-3-4-8-13(12)14(17(19)20-2)11-21-16-10-6-5-9-15(16)18/h3-10,14,18H,11H2,1-2H3
InChIKeyQEDRSCAOUKSNSK-UHFFFAOYSA-N
XLogP3.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate
CID 117240950
methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244434
methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244441
methyl 2-(2-hydroxyphenyl)-3-(4-methoxyphenoxy)propanoate
CID 117244442
methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117240952
methyl 2-methyl-3-(2-methylphenoxy)propanoate
CID 43537668
methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate
CID 117240986
methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate
CID 117241320
dimethyl 2-(2-methylphenyl)propanedioate
CID 11276084
3-(2-hydroxyphenoxy)-2-methylpropanamide
CID 43312348
methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate
CID 117244498
methyl (2S,3R)-2,3-dihydroxy-3-(2-methylphenyl)propanoate
CID 90018572

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate?
The IUPAC name of methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate (CID 117244304) is methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate?
The canonical SMILES for methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate is COC(=O)C(COc1ccccc1O)c1ccccc1C.
What is the InChIKey of methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate?
The InChIKey is QEDRSCAOUKSNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-12-7-3-4-8-13(12)14(17(19)20-2)11-21-16-10-6-5-9-15(16)18/h3-10,14,18H,11H2,1-2H3.
What are the key properties of methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate?
methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate has a molecular weight of 286.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate is sourced from PubChem (CID 117244304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).