propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate

C13H18O3 — CID 112723040

IUPACpropan-2-yl 2-(3-methoxy-4-methylphenyl)acetate
SMILESCOc1cc(CC(=O)OC(C)C)ccc1C
InChIInChI=1S/C13H18O3/c1-9(2)16-13(14)8-11-6-5-10(3)12(7-11)15-4/h5-7,9H,8H2,1-4H3
InChIKeyXCOREMAKTNJLOY-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.50
Rot. Bonds4

About propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate

propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate (PubChem CID 112723040) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-methoxy-4-methylphenyl)acetate
PubChem CID112723040
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namepropan-2-yl 2-(3-methoxy-4-methylphenyl)acetate
SMILESCOc1cc(CC(=O)OC(C)C)ccc1C
InChIInChI=1S/C13H18O3/c1-9(2)16-13(14)8-11-6-5-10(3)12(7-11)15-4/h5-7,9H,8H2,1-4H3
InChIKeyXCOREMAKTNJLOY-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate
CID 55459667
propan-2-yl 3-[[N-[2-(3-methoxy-4-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111588963
[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate
CID 55459669
2-(3-methoxy-4-methylphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120827889
N-(2-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43394122
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
dimethyl 2-[(3-methoxy-4-methylphenyl)methyl]propanedioate
CID 18626507
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738271
propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate
CID 96708288
ethyl 2-[3-[(3-methoxy-2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetate
CID 67085942
propan-2-yl 2-(5-bromo-2-methoxyphenyl)acetate
CID 82550039
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate
CID 55459291

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate?
The IUPAC name of propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate (CID 112723040) is propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate.
What is the SMILES notation for propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate?
The canonical SMILES for propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate is COc1cc(CC(=O)OC(C)C)ccc1C.
What is the InChIKey of propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate?
The InChIKey is XCOREMAKTNJLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(2)16-13(14)8-11-6-5-10(3)12(7-11)15-4/h5-7,9H,8H2,1-4H3.
What are the key properties of propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate?
propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate has a molecular weight of 222.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate is sourced from PubChem (CID 112723040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).