methyl 4-(3-phenylpropanoyl)benzoate

C17H16O3 — CID 11184731

IUPACmethyl 4-(3-phenylpropanoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H16O3/c1-20-17(19)15-10-8-14(9-11-15)16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11H,7,12H2,1H3
InChIKeyROXZIDFKHJVXDR-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.29
Rot. Bonds5

About methyl 4-(3-phenylpropanoyl)benzoate

methyl 4-(3-phenylpropanoyl)benzoate (PubChem CID 11184731) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 4-(3-phenylpropanoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-phenylpropanoyl)benzoate
PubChem CID11184731
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Namemethyl 4-(3-phenylpropanoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H16O3/c1-20-17(19)15-10-8-14(9-11-15)16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11H,7,12H2,1H3
InChIKeyROXZIDFKHJVXDR-UHFFFAOYSA-N
XLogP3.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
methyl 4-(2-phenylethylamino)benzoate
CID 43217242
1-(4-iodophenyl)-3-phenylpropan-1-one
CID 43160297
methyl 3-hydroxy-4-(3-oxo-3-phenylpropyl)benzoate
CID 134845595
methyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate
CID 4628169
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
CID 116548233
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate
CID 7654687
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
methyl 2-(3-oxo-3-phenylpropyl)benzoate
CID 122221957

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-phenylpropanoyl)benzoate?
The IUPAC name of methyl 4-(3-phenylpropanoyl)benzoate (CID 11184731) is methyl 4-(3-phenylpropanoyl)benzoate.
What is the SMILES notation for methyl 4-(3-phenylpropanoyl)benzoate?
The canonical SMILES for methyl 4-(3-phenylpropanoyl)benzoate is COC(=O)c1ccc(C(=O)CCc2ccccc2)cc1.
What is the InChIKey of methyl 4-(3-phenylpropanoyl)benzoate?
The InChIKey is ROXZIDFKHJVXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-20-17(19)15-10-8-14(9-11-15)16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11H,7,12H2,1H3.
What are the key properties of methyl 4-(3-phenylpropanoyl)benzoate?
methyl 4-(3-phenylpropanoyl)benzoate has a molecular weight of 268.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-phenylpropanoyl)benzoate is sourced from PubChem (CID 11184731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).