methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate

C16H16O4 — CID 10659779

IUPACmethyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate
SMILESCOC(=O)COc1cccc(-c2ccccc2O)c1C
InChIInChI=1S/C16H16O4/c1-11-12(13-6-3-4-8-14(13)17)7-5-9-15(11)20-10-16(18)19-2/h3-9,17H,10H2,1-2H3
InChIKeyKOVONVOMDDZRBB-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.92
Rot. Bonds4

About methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate

methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate (PubChem CID 10659779) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate
PubChem CID10659779
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namemethyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate
SMILESCOC(=O)COc1cccc(-c2ccccc2O)c1C
InChIInChI=1S/C16H16O4/c1-11-12(13-6-3-4-8-14(13)17)7-5-9-15(11)20-10-16(18)19-2/h3-9,17H,10H2,1-2H3
InChIKeyKOVONVOMDDZRBB-UHFFFAOYSA-N
XLogP2.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-(2-sulfamoylphenoxy)acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate?
The IUPAC name of methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate (CID 10659779) is methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate.
What is the SMILES notation for methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate?
The canonical SMILES for methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate is COC(=O)COc1cccc(-c2ccccc2O)c1C.
What is the InChIKey of methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate?
The InChIKey is KOVONVOMDDZRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-11-12(13-6-3-4-8-14(13)17)7-5-9-15(11)20-10-16(18)19-2/h3-9,17H,10H2,1-2H3.
What are the key properties of methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate?
methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate has a molecular weight of 272.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate is sourced from PubChem (CID 10659779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).