methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate

C15H16O3 — CID 89491354

IUPACmethyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate
SMILESCOC(=O)C(C)Cc1coc(-c2ccccc2)c1
InChIInChI=1S/C15H16O3/c1-11(15(16)17-2)8-12-9-14(18-10-12)13-6-4-3-5-7-13/h3-7,9-11H,8H2,1-2H3
InChIKeyRFJAHTOUBPFONJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.30
Rot. Bonds4

About methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate

methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate (PubChem CID 89491354) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate
PubChem CID89491354
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namemethyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate
SMILESCOC(=O)C(C)Cc1coc(-c2ccccc2)c1
InChIInChI=1S/C15H16O3/c1-11(15(16)17-2)8-12-9-14(18-10-12)13-6-4-3-5-7-13/h3-7,9-11H,8H2,1-2H3
InChIKeyRFJAHTOUBPFONJ-UHFFFAOYSA-N
XLogP3.30
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-phenylpropanoate
CID 11105919
(5-phenylfuran-3-yl)methyl acetate
CID 102069071
methyl 5-phenylfuran-3-carboxylate
CID 10130413
methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate
CID 97184757
(2-methyl-3-phenylpropanoyl) 2-methyl-3-phenylpropanoate
CID 170643388
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate
CID 144688794
methyl (2S)-2-phenyl-2-propan-2-yloxyacetate
CID 102179999
methyl 2-phenyl-2-propan-2-yloxyacetate
CID 75094315
methyl (2S)-3-(benzylamino)-2-methylpropanoate
CID 7020995

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate?
The IUPAC name of methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate (CID 89491354) is methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate?
The canonical SMILES for methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate is COC(=O)C(C)Cc1coc(-c2ccccc2)c1.
What is the InChIKey of methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate?
The InChIKey is RFJAHTOUBPFONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-11(15(16)17-2)8-12-9-14(18-10-12)13-6-4-3-5-7-13/h3-7,9-11H,8H2,1-2H3.
What are the key properties of methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate?
methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate has a molecular weight of 244.29 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate is sourced from PubChem (CID 89491354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).