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

C21H18O4 — CID 40689141

IUPACphenacyl 3-(5-phenylfuran-2-yl)propanoate
SMILESO=C(CCc1ccc(-c2ccccc2)o1)OCC(=O)c1ccccc1
InChIInChI=1S/C21H18O4/c22-19(16-7-3-1-4-8-16)15-24-21(23)14-12-18-11-13-20(25-18)17-9-5-2-6-10-17/h1-11,13H,12,14-15H2
InChIKeyJBFVSQZADXTYJU-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.31
Rot. Bonds7

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

phenacyl 3-(5-phenylfuran-2-yl)propanoate (PubChem CID 40689141) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is phenacyl 3-(5-phenylfuran-2-yl)propanoate.

Molecular Properties

Compound Namephenacyl 3-(5-phenylfuran-2-yl)propanoate
PubChem CID40689141
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Namephenacyl 3-(5-phenylfuran-2-yl)propanoate
SMILESO=C(CCc1ccc(-c2ccccc2)o1)OCC(=O)c1ccccc1
InChIInChI=1S/C21H18O4/c22-19(16-7-3-1-4-8-16)15-24-21(23)14-12-18-11-13-20(25-18)17-9-5-2-6-10-17/h1-11,13H,12,14-15H2
InChIKeyJBFVSQZADXTYJU-UHFFFAOYSA-N
XLogP4.31
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate
CID 40685603
phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490600
[2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate
CID 46691098
1-O-methyl 4-O-[2-oxo-2-(4-phenylphenyl)ethyl] butanedioate
CID 19132591
N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide
CID 51149871
3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 22587446
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate
CID 7704319
3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide
CID 78773204
phenacyl tetradecanoate
CID 15920280
phenacyl octadecanoate
CID 14178755
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 42377200
N'-[3-(5-phenylfuran-2-yl)propanoyl]pyridine-3-carbohydrazide
CID 51157515

Frequently Asked Questions

What is the IUPAC name of phenacyl 3-(5-phenylfuran-2-yl)propanoate?
The IUPAC name of phenacyl 3-(5-phenylfuran-2-yl)propanoate (CID 40689141) is phenacyl 3-(5-phenylfuran-2-yl)propanoate.
What is the SMILES notation for phenacyl 3-(5-phenylfuran-2-yl)propanoate?
The canonical SMILES for phenacyl 3-(5-phenylfuran-2-yl)propanoate is O=C(CCc1ccc(-c2ccccc2)o1)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 3-(5-phenylfuran-2-yl)propanoate?
The InChIKey is JBFVSQZADXTYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c22-19(16-7-3-1-4-8-16)15-24-21(23)14-12-18-11-13-20(25-18)17-9-5-2-6-10-17/h1-11,13H,12,14-15H2.
What are the key properties of phenacyl 3-(5-phenylfuran-2-yl)propanoate?
phenacyl 3-(5-phenylfuran-2-yl)propanoate has a molecular weight of 334.37 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 3-(5-phenylfuran-2-yl)propanoate is sourced from PubChem (CID 40689141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).