methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate

C13H18O3 — CID 143093079

IUPACmethyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate
SMILESCOC(=O)COc1cccc(C(C)C)c1C
InChIInChI=1S/C13H18O3/c1-9(2)11-6-5-7-12(10(11)3)16-8-13(14)15-4/h5-7,9H,8H2,1-4H3
InChIKeyYLUUCGNICYULGN-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.67
Rot. Bonds4

About methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate

methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate (PubChem CID 143093079) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate
PubChem CID143093079
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namemethyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate
SMILESCOC(=O)COc1cccc(C(C)C)c1C
InChIInChI=1S/C13H18O3/c1-9(2)11-6-5-7-12(10(11)3)16-8-13(14)15-4/h5-7,9H,8H2,1-4H3
InChIKeyYLUUCGNICYULGN-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-amino-2-methylphenoxy)acetate
CID 43437919
methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate
CID 10659779
methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55771702
methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate
CID 60881530
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854161
CID 58544147
CID 58544147
2-hydroxy-6-(2-methoxy-2-oxoethoxy)benzoic acid
CID 21250849
ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate
CID 103484892
(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate
CID 19179422
methyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate
CID 10827050
2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate?
The IUPAC name of methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate (CID 143093079) is methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate.
What is the SMILES notation for methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate?
The canonical SMILES for methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate is COC(=O)COc1cccc(C(C)C)c1C.
What is the InChIKey of methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate?
The InChIKey is YLUUCGNICYULGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(2)11-6-5-7-12(10(11)3)16-8-13(14)15-4/h5-7,9H,8H2,1-4H3.
What are the key properties of methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate?
methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate has a molecular weight of 222.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 143093079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).