methyl 2-methyl-3-(4-propanoylphenoxy)propanoate

C14H18O4 — CID 43537743

IUPACmethyl 2-methyl-3-(4-propanoylphenoxy)propanoate
SMILESCCC(=O)c1ccc(OCC(C)C(=O)OC)cc1
InChIInChI=1S/C14H18O4/c1-4-13(15)11-5-7-12(8-6-11)18-9-10(2)14(16)17-3/h5-8,10H,4,9H2,1-3H3
InChIKeyDUROVLUSFJPYKX-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.47
Rot. Bonds6

About methyl 2-methyl-3-(4-propanoylphenoxy)propanoate

methyl 2-methyl-3-(4-propanoylphenoxy)propanoate (PubChem CID 43537743) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 2-methyl-3-(4-propanoylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(4-propanoylphenoxy)propanoate
PubChem CID43537743
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl 2-methyl-3-(4-propanoylphenoxy)propanoate
SMILESCCC(=O)c1ccc(OCC(C)C(=O)OC)cc1
InChIInChI=1S/C14H18O4/c1-4-13(15)11-5-7-12(8-6-11)18-9-10(2)14(16)17-3/h5-8,10H,4,9H2,1-3H3
InChIKeyDUROVLUSFJPYKX-UHFFFAOYSA-N
XLogP2.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-iodophenoxy)-2-methylpropanoate
CID 43538009
methyl 3-(4-chlorophenoxy)-2-methylpropanoate
CID 43537622
methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
(4-propanoylphenyl) 2-methylpropanoate
CID 19170731
methyl 4-(2-methylbutoxy)benzoate
CID 18342003
methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate
CID 43537890
3-methyl-2-(4-propanoylphenoxy)butanehydrazide
CID 63576010
1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 138958786
3-methylbutyl 2-(4-propanoylphenoxy)acetate
CID 86914486
methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate
CID 43402742
1-[4-[(2S)-2-hydroxy-3-(prop-2-enylamino)propoxy]phenyl]propan-1-one
CID 51566532
ethyl 3-(4-ethylphenoxy)-2-methylpropanoate
CID 115002229

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(4-propanoylphenoxy)propanoate?
The IUPAC name of methyl 2-methyl-3-(4-propanoylphenoxy)propanoate (CID 43537743) is methyl 2-methyl-3-(4-propanoylphenoxy)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(4-propanoylphenoxy)propanoate?
The canonical SMILES for methyl 2-methyl-3-(4-propanoylphenoxy)propanoate is CCC(=O)c1ccc(OCC(C)C(=O)OC)cc1.
What is the InChIKey of methyl 2-methyl-3-(4-propanoylphenoxy)propanoate?
The InChIKey is DUROVLUSFJPYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-4-13(15)11-5-7-12(8-6-11)18-9-10(2)14(16)17-3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of methyl 2-methyl-3-(4-propanoylphenoxy)propanoate?
methyl 2-methyl-3-(4-propanoylphenoxy)propanoate has a molecular weight of 250.29 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(4-propanoylphenoxy)propanoate is sourced from PubChem (CID 43537743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).