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

C14H14O3 — CID 11736362

IUPACmethyl 2-(2-methyl-5-phenylfuran-3-yl)acetate
SMILESCOC(=O)Cc1cc(-c2ccccc2)oc1C
InChIInChI=1S/C14H14O3/c1-10-12(9-14(15)16-2)8-13(17-10)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyZPGAKLJUVKMRFC-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.97
Rot. Bonds3

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

methyl 2-(2-methyl-5-phenylfuran-3-yl)acetate (PubChem CID 11736362) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 2-(2-methyl-5-phenylfuran-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-5-phenylfuran-3-yl)acetate
PubChem CID11736362
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Namemethyl 2-(2-methyl-5-phenylfuran-3-yl)acetate
SMILESCOC(=O)Cc1cc(-c2ccccc2)oc1C
InChIInChI=1S/C14H14O3/c1-10-12(9-14(15)16-2)8-13(17-10)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyZPGAKLJUVKMRFC-UHFFFAOYSA-N
XLogP2.97
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-5-phenylfuran-3-yl)acetate?
The IUPAC name of methyl 2-(2-methyl-5-phenylfuran-3-yl)acetate (CID 11736362) is methyl 2-(2-methyl-5-phenylfuran-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-5-phenylfuran-3-yl)acetate?
The canonical SMILES for methyl 2-(2-methyl-5-phenylfuran-3-yl)acetate is COC(=O)Cc1cc(-c2ccccc2)oc1C.
What is the InChIKey of methyl 2-(2-methyl-5-phenylfuran-3-yl)acetate?
The InChIKey is ZPGAKLJUVKMRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-10-12(9-14(15)16-2)8-13(17-10)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-5-phenylfuran-3-yl)acetate?
methyl 2-(2-methyl-5-phenylfuran-3-yl)acetate has a molecular weight of 230.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-5-phenylfuran-3-yl)acetate is sourced from PubChem (CID 11736362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).