3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate

C20H20O3 — CID 159477201

IUPAC3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H20O3/c1-15(2)20(22)23-14-8-12-16-9-6-7-13-18(16)19(21)17-10-4-3-5-11-17/h3-7,9-11,13H,1,8,12,14H2,2H3
InChIKeyLWNLURLSLXQAKT-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.97
Rot. Bonds7

About 3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate

3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate (PubChem CID 159477201) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
PubChem CID159477201
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H20O3/c1-15(2)20(22)23-14-8-12-16-9-6-7-13-18(16)19(21)17-10-4-3-5-11-17/h3-7,9-11,13H,1,8,12,14H2,2H3
InChIKeyLWNLURLSLXQAKT-UHFFFAOYSA-N
XLogP3.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 175978198
CID 175978198
2-[2-(2-methylprop-2-enoyloxy)ethyl]benzoic acid;phosphoric acid
CID 118541677
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-benzoylbenzoate
CID 158797658
3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate
CID 174994672
5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate
CID 171768668
[2-(3-hydroxypropyl)phenyl]-phenylmethanone
CID 66892901
2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
CID 89363324
2-(3-benzoyl-2,6-dihydroxyphenyl)ethyl 2-methylprop-2-enoate
CID 169082390
2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl 2-methylprop-2-enoate
CID 141385428
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
3-anthracen-1-ylpropyl 2-methylprop-2-enoate
CID 164705675
1-O-(3-hydroxypropyl) 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] benzene-1,2-dicarboxylate
CID 151164300

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate (CID 159477201) is 3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate?
The InChIKey is LWNLURLSLXQAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-15(2)20(22)23-14-8-12-16-9-6-7-13-18(16)19(21)17-10-4-3-5-11-17/h3-7,9-11,13H,1,8,12,14H2,2H3.
What are the key properties of 3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate?
3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate has a molecular weight of 308.38 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 159477201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).