methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate

C17H18O5 — CID 117245315

IUPACmethyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate
SMILESCOC(=O)C(COc1ccc(O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18O5/c1-20-14-7-3-12(4-8-14)16(17(19)21-2)11-22-15-9-5-13(18)6-10-15/h3-10,16,18H,11H2,1-2H3
InChIKeyGNDDDDDOOCTMOX-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.74
Rot. Bonds6

About methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate

methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate (PubChem CID 117245315) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate
PubChem CID117245315
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Namemethyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate
SMILESCOC(=O)C(COc1ccc(O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18O5/c1-20-14-7-3-12(4-8-14)16(17(19)21-2)11-22-15-9-5-13(18)6-10-15/h3-10,16,18H,11H2,1-2H3
InChIKeyGNDDDDDOOCTMOX-UHFFFAOYSA-N
XLogP2.74
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate
CID 117245260
methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244441
methyl 2-(2-hydroxyphenyl)-3-(4-methoxyphenoxy)propanoate
CID 117244442
methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate
CID 117243479
4-[1-hydroxy-2-(4-methoxyphenoxy)ethyl]phenol
CID 117244685
methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate
CID 117241127
methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241124
methyl 2-bromo-3-(4-methoxyphenoxy)propanoate
CID 81091606
methyl 3-phenoxy-2-pyridin-4-ylpropanoate
CID 117246578
methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate
CID 124565179
3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid
CID 117245303
methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate
CID 117242247

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate (CID 117245315) is methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate is COC(=O)C(COc1ccc(O)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate?
The InChIKey is GNDDDDDOOCTMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-20-14-7-3-12(4-8-14)16(17(19)21-2)11-22-15-9-5-13(18)6-10-15/h3-10,16,18H,11H2,1-2H3.
What are the key properties of methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate?
methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate has a molecular weight of 302.33 g/mol, XLogP of 2.74, 6 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-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 117245315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).