methyl 4-(2-propanoylphenyl)benzoate

C17H16O3 — CID 174354570

IUPACmethyl 4-(2-propanoylphenyl)benzoate
SMILESCCC(=O)c1ccccc1-c1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H16O3/c1-3-16(18)15-7-5-4-6-14(15)12-8-10-13(11-9-12)17(19)20-2/h4-11H,3H2,1-2H3
InChIKeyXQUCDLOGRPAPQY-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.73
Rot. Bonds4

About methyl 4-(2-propanoylphenyl)benzoate

methyl 4-(2-propanoylphenyl)benzoate (PubChem CID 174354570) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 4-(2-propanoylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-propanoylphenyl)benzoate
PubChem CID174354570
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Namemethyl 4-(2-propanoylphenyl)benzoate
SMILESCCC(=O)c1ccccc1-c1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H16O3/c1-3-16(18)15-7-5-4-6-14(15)12-8-10-13(11-9-12)17(19)20-2/h4-11H,3H2,1-2H3
InChIKeyXQUCDLOGRPAPQY-UHFFFAOYSA-N
XLogP3.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-methoxycarbonylphenyl)benzoate
CID 170872162
1-[2-(4-methylphenyl)phenyl]propan-1-one
CID 67873243
1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one
CID 174612586
methyl 4-(2-hydroxyphenyl)benzoate
CID 4564856
2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid
CID 53227127
methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate
CID 67257428
methyl 4-[2-(2-aminoethyl)phenyl]benzoate
CID 1393592
1-[4-(2-hydroxyphenyl)phenyl]propan-1-one
CID 19877656
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate
CID 7229145
3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887239

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-propanoylphenyl)benzoate?
The IUPAC name of methyl 4-(2-propanoylphenyl)benzoate (CID 174354570) is methyl 4-(2-propanoylphenyl)benzoate.
What is the SMILES notation for methyl 4-(2-propanoylphenyl)benzoate?
The canonical SMILES for methyl 4-(2-propanoylphenyl)benzoate is CCC(=O)c1ccccc1-c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-(2-propanoylphenyl)benzoate?
The InChIKey is XQUCDLOGRPAPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-3-16(18)15-7-5-4-6-14(15)12-8-10-13(11-9-12)17(19)20-2/h4-11H,3H2,1-2H3.
What are the key properties of methyl 4-(2-propanoylphenyl)benzoate?
methyl 4-(2-propanoylphenyl)benzoate has a molecular weight of 268.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-propanoylphenyl)benzoate is sourced from PubChem (CID 174354570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).