propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate

C15H22O3 — CID 54941393

IUPACpropan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SMILESCc1ccc(C(C)C)c(OCC(=O)OC(C)C)c1
InChIInChI=1S/C15H22O3/c1-10(2)13-7-6-12(5)8-14(13)17-9-15(16)18-11(3)4/h6-8,10-11H,9H2,1-5H3
InChIKeyFXXVSWFCCFNOFE-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.45
Rot. Bonds5

About propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate

propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate (PubChem CID 54941393) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
PubChem CID54941393
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namepropan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SMILESCc1ccc(C(C)C)c(OCC(=O)OC(C)C)c1
InChIInChI=1S/C15H22O3/c1-10(2)13-7-6-12(5)8-14(13)17-9-15(16)18-11(3)4/h6-8,10-11H,9H2,1-5H3
InChIKeyFXXVSWFCCFNOFE-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8758790
(3,5-dimethylphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 680450
propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate
CID 63641331
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
CID 54942552
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839402
N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 86907722
5-bromo-2-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxybenzoic acid
CID 54854469
methyl 4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxybenzoate
CID 7761368
[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8742407
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
3-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxybenzoic acid
CID 54854693

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The IUPAC name of propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate (CID 54941393) is propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The canonical SMILES for propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate is Cc1ccc(C(C)C)c(OCC(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The InChIKey is FXXVSWFCCFNOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10(2)13-7-6-12(5)8-14(13)17-9-15(16)18-11(3)4/h6-8,10-11H,9H2,1-5H3.
What are the key properties of propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate has a molecular weight of 250.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 54941393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).