methyl 2-(2-phenyl-5-propanoylphenyl)acetate

C18H18O3 — CID 57288520

IUPACmethyl 2-(2-phenyl-5-propanoylphenyl)acetate
SMILESCCC(=O)c1ccc(-c2ccccc2)c(CC(=O)OC)c1
InChIInChI=1S/C18H18O3/c1-3-17(19)14-9-10-16(13-7-5-4-6-8-13)15(11-14)12-18(20)21-2/h4-11H,3,12H2,1-2H3
InChIKeyKOPFDWSENATBOV-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.66
Rot. Bonds5

About methyl 2-(2-phenyl-5-propanoylphenyl)acetate

methyl 2-(2-phenyl-5-propanoylphenyl)acetate (PubChem CID 57288520) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-(2-phenyl-5-propanoylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-phenyl-5-propanoylphenyl)acetate
PubChem CID57288520
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Namemethyl 2-(2-phenyl-5-propanoylphenyl)acetate
SMILESCCC(=O)c1ccc(-c2ccccc2)c(CC(=O)OC)c1
InChIInChI=1S/C18H18O3/c1-3-17(19)14-9-10-16(13-7-5-4-6-8-13)15(11-14)12-18(20)21-2/h4-11H,3,12H2,1-2H3
InChIKeyKOPFDWSENATBOV-UHFFFAOYSA-N
XLogP3.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenyl-5-propanoylphenyl)acetate?
The IUPAC name of methyl 2-(2-phenyl-5-propanoylphenyl)acetate (CID 57288520) is methyl 2-(2-phenyl-5-propanoylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-phenyl-5-propanoylphenyl)acetate?
The canonical SMILES for methyl 2-(2-phenyl-5-propanoylphenyl)acetate is CCC(=O)c1ccc(-c2ccccc2)c(CC(=O)OC)c1.
What is the InChIKey of methyl 2-(2-phenyl-5-propanoylphenyl)acetate?
The InChIKey is KOPFDWSENATBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-17(19)14-9-10-16(13-7-5-4-6-8-13)15(11-14)12-18(20)21-2/h4-11H,3,12H2,1-2H3.
What are the key properties of methyl 2-(2-phenyl-5-propanoylphenyl)acetate?
methyl 2-(2-phenyl-5-propanoylphenyl)acetate has a molecular weight of 282.34 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenyl-5-propanoylphenyl)acetate is sourced from PubChem (CID 57288520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).