methyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate

C16H16O4 — CID 10659778

IUPACmethyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate
SMILESCOC(=O)COc1cccc(-c2cc(C)ccc2O)c1
InChIInChI=1S/C16H16O4/c1-11-6-7-15(17)14(8-11)12-4-3-5-13(9-12)20-10-16(18)19-2/h3-9,17H,10H2,1-2H3
InChIKeyDDTFNOQWJAPIGU-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.92
Rot. Bonds4

About methyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate

methyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate (PubChem CID 10659778) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate
PubChem CID10659778
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namemethyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate
SMILESCOC(=O)COc1cccc(-c2cc(C)ccc2O)c1
InChIInChI=1S/C16H16O4/c1-11-6-7-15(17)14(8-11)12-4-3-5-13(9-12)20-10-16(18)19-2/h3-9,17H,10H2,1-2H3
InChIKeyDDTFNOQWJAPIGU-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

methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
methyl 2-(3-acetyloxyphenoxy)acetate
CID 20717761
methyl 2-[3-[[3-(2-methoxy-2-oxoethoxy)phenyl]disulfanyl]phenoxy]acetate
CID 171804931
methyl 2-(3-phosphorosophenoxy)acetate
CID 118226316
methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate
CID 14995071
3-[3-(2,5-dimethylphenyl)phenoxy]propanoic acid
CID 39369428
methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate
CID 139707056
methyl 2-[3-chloro-4-[[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-5-methylphenoxy]acetate
CID 155686208
(3,5-dimethylphenyl) 2-(3-methylphenoxy)acetate
CID 19167596
methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate
CID 10659779

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate?
The IUPAC name of methyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate (CID 10659778) is methyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate is COC(=O)COc1cccc(-c2cc(C)ccc2O)c1.
What is the InChIKey of methyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate?
The InChIKey is DDTFNOQWJAPIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-11-6-7-15(17)14(8-11)12-4-3-5-13(9-12)20-10-16(18)19-2/h3-9,17H,10H2,1-2H3.
What are the key properties of methyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate?
methyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]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-hydroxy-5-methylphenyl)phenoxy]acetate is sourced from PubChem (CID 10659778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).