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

C16H16O5 — CID 117244441

IUPACmethyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate
SMILESCOC(=O)C(COc1ccc(O)cc1)c1ccccc1O
InChIInChI=1S/C16H16O5/c1-20-16(19)14(13-4-2-3-5-15(13)18)10-21-12-8-6-11(17)7-9-12/h2-9,14,17-18H,10H2,1H3
InChIKeyGVGPVMAFVSOGTR-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.43
Rot. Bonds5

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

methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate (PubChem CID 117244441) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate
PubChem CID117244441
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Namemethyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate
SMILESCOC(=O)C(COc1ccc(O)cc1)c1ccccc1O
InChIInChI=1S/C16H16O5/c1-20-16(19)14(13-4-2-3-5-15(13)18)10-21-12-8-6-11(17)7-9-12/h2-9,14,17-18H,10H2,1H3
InChIKeyGVGPVMAFVSOGTR-UHFFFAOYSA-N
XLogP2.43
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-hydroxyphenyl)-3-(4-methoxyphenoxy)propanoate
CID 117244442
methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244434
methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate
CID 117245315
3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244439
methyl 2-(5-chlorothiophen-2-yl)-3-(4-hydroxyphenoxy)propanoate
CID 117241127
methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate
CID 117244378
methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate
CID 117244304
3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
CID 117244430
2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol
CID 117244097
methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate
CID 117245260
4-[2-amino-2-(2-methylphenyl)ethoxy]phenol
CID 117243730
methyl 3-phenoxy-2-pyridin-4-ylpropanoate
CID 117246578

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate?
The IUPAC name of methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate (CID 117244441) is methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate is COC(=O)C(COc1ccc(O)cc1)c1ccccc1O.
What is the InChIKey of methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate?
The InChIKey is GVGPVMAFVSOGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-20-16(19)14(13-4-2-3-5-15(13)18)10-21-12-8-6-11(17)7-9-12/h2-9,14,17-18H,10H2,1H3.
What are the key properties of methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate?
methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate has a molecular weight of 288.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate is sourced from PubChem (CID 117244441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).