(3-ethoxy-2-oxopropyl) 2-methyl-4-(4-methylphenyl)butanoate

C17H24O4 — CID 170220893

IUPAC(3-ethoxy-2-oxopropyl) 2-methyl-4-(4-methylphenyl)butanoate
SMILESCCOCC(=O)COC(=O)C(C)CCc1ccc(C)cc1
InChIInChI=1S/C17H24O4/c1-4-20-11-16(18)12-21-17(19)14(3)7-10-15-8-5-13(2)6-9-15/h5-6,8-9,14H,4,7,10-12H2,1-3H3
InChIKeyWCFRQLVGTZYXTP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.71
Rot. Bonds9

About (3-ethoxy-2-oxopropyl) 2-methyl-4-(4-methylphenyl)butanoate

(3-ethoxy-2-oxopropyl) 2-methyl-4-(4-methylphenyl)butanoate (PubChem CID 170220893) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3-ethoxy-2-oxopropyl) 2-methyl-4-(4-methylphenyl)butanoate.

Molecular Properties

Compound Name(3-ethoxy-2-oxopropyl) 2-methyl-4-(4-methylphenyl)butanoate
PubChem CID170220893
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(3-ethoxy-2-oxopropyl) 2-methyl-4-(4-methylphenyl)butanoate
SMILESCCOCC(=O)COC(=O)C(C)CCc1ccc(C)cc1
InChIInChI=1S/C17H24O4/c1-4-20-11-16(18)12-21-17(19)14(3)7-10-15-8-5-13(2)6-9-15/h5-6,8-9,14H,4,7,10-12H2,1-3H3
InChIKeyWCFRQLVGTZYXTP-UHFFFAOYSA-N
XLogP2.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[2-methyl-4-(4-methylphenyl)butanoyl]oxy-2-oxopropyl] 2-methyl-4-(4-methylphenyl)butanoate
CID 168884695
ethyl 4-[4-(bromomethyl)phenyl]-2-methylbutanoate
CID 67584068
ethyl 4-amino-2-methylbutanoate;1-methyl-4-phenylbenzene
CID 145264208
2-(2-hydroxyethoxy)ethyl 2-amino-3,4-dihydroxy-6-(4-methylphenyl)hexanoate
CID 143657179
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
1-(4-aminophenyl)-3-ethoxypropan-2-one
CID 116549423
2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate
CID 44635825
ethyl 4-(3-hydroxybutyl)benzoate
CID 71663434
ethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane
CID 143083964
ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656
ethyl propanoate;2-(4-methylphenyl)ethyl propanoate
CID 156540203
(3S)-3-amino-5-(4-methylphenyl)pentanoic acid
CID 174696804

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2-oxopropyl) 2-methyl-4-(4-methylphenyl)butanoate?
The IUPAC name of (3-ethoxy-2-oxopropyl) 2-methyl-4-(4-methylphenyl)butanoate (CID 170220893) is (3-ethoxy-2-oxopropyl) 2-methyl-4-(4-methylphenyl)butanoate.
What is the SMILES notation for (3-ethoxy-2-oxopropyl) 2-methyl-4-(4-methylphenyl)butanoate?
The canonical SMILES for (3-ethoxy-2-oxopropyl) 2-methyl-4-(4-methylphenyl)butanoate is CCOCC(=O)COC(=O)C(C)CCc1ccc(C)cc1.
What is the InChIKey of (3-ethoxy-2-oxopropyl) 2-methyl-4-(4-methylphenyl)butanoate?
The InChIKey is WCFRQLVGTZYXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-4-20-11-16(18)12-21-17(19)14(3)7-10-15-8-5-13(2)6-9-15/h5-6,8-9,14H,4,7,10-12H2,1-3H3.
What are the key properties of (3-ethoxy-2-oxopropyl) 2-methyl-4-(4-methylphenyl)butanoate?
(3-ethoxy-2-oxopropyl) 2-methyl-4-(4-methylphenyl)butanoate has a molecular weight of 292.38 g/mol, XLogP of 2.71, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-2-oxopropyl) 2-methyl-4-(4-methylphenyl)butanoate is sourced from PubChem (CID 170220893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).