methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate

C15H22O3 — CID 43537579

IUPACmethyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate
SMILESCOC(=O)C(C)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C15H22O3/c1-10(2)13-7-6-11(3)8-14(13)18-9-12(4)15(16)17-5/h6-8,10,12H,9H2,1-5H3
InChIKeyXGRCWTHVVKIFNQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.31
Rot. Bonds5

About methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate

methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate (PubChem CID 43537579) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate
PubChem CID43537579
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namemethyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate
SMILESCOC(=O)C(C)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C15H22O3/c1-10(2)13-7-6-11(3)8-14(13)18-9-12(4)15(16)17-5/h6-8,10,12H,9H2,1-5H3
InChIKeyXGRCWTHVVKIFNQ-UHFFFAOYSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate
CID 4280995
(2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 41300592
methyl 4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxybenzoate
CID 7761368
methyl 2-methyl-3-(2-methylphenoxy)propanoate
CID 43537668
propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 54941393
methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 4787643
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
ethyl (5-methyl-2-propan-2-ylphenyl) carbonate
CID 162444144
2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine
CID 43100574
1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593413
(3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8758790

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate?
The IUPAC name of methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate (CID 43537579) is methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate?
The canonical SMILES for methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate is COC(=O)C(C)COc1cc(C)ccc1C(C)C.
What is the InChIKey of methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate?
The InChIKey is XGRCWTHVVKIFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10(2)13-7-6-11(3)8-14(13)18-9-12(4)15(16)17-5/h6-8,10,12H,9H2,1-5H3.
What are the key properties of methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate?
methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate has a molecular weight of 250.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate is sourced from PubChem (CID 43537579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).