2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate

C16H24O3 — CID 78832911

IUPAC2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate
SMILESCc1ccc(CCC(=O)OCCOC(C)C)c(C)c1
InChIInChI=1S/C16H24O3/c1-12(2)18-9-10-19-16(17)8-7-15-6-5-13(3)11-14(15)4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyLNYUIBLROYHHSY-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.20
Rot. Bonds7

About 2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate

2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate (PubChem CID 78832911) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate
PubChem CID78832911
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate
SMILESCc1ccc(CCC(=O)OCCOC(C)C)c(C)c1
InChIInChI=1S/C16H24O3/c1-12(2)18-9-10-19-16(17)8-7-15-6-5-13(3)11-14(15)4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyLNYUIBLROYHHSY-UHFFFAOYSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
2-(2,4-dimethylphenyl)ethyl carbamate
CID 123427544
1-amino-4-(2,4-dimethylphenyl)butan-2-one
CID 82281462
6-(2,4-dimethylphenyl)-2-methylhexan-3-one
CID 83928031
2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate
CID 78831089
2-propan-2-yloxyethyl 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 78830378
4-(2,4-dimethylphenyl)-2-oxobutanoic acid
CID 57302764
2-propan-2-yloxyethyl 3-(3-bromophenyl)propanoate
CID 78790223
ethyl 3-[4-(2-aminoethoxy)-2-methylphenyl]propanoate
CID 164576670
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120507266
ethyl 3-(4-bromo-2-methylphenyl)propanoate
CID 124705554

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate?
The IUPAC name of 2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate (CID 78832911) is 2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate.
What is the SMILES notation for 2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate?
The canonical SMILES for 2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate is Cc1ccc(CCC(=O)OCCOC(C)C)c(C)c1.
What is the InChIKey of 2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate?
The InChIKey is LNYUIBLROYHHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-12(2)18-9-10-19-16(17)8-7-15-6-5-13(3)11-14(15)4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate?
2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate has a molecular weight of 264.36 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate is sourced from PubChem (CID 78832911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).