1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate

C20H20O3 — CID 175289808

IUPAC1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H20O3/c1-4-18(23-20(22)14(2)3)16-12-8-9-13-17(16)19(21)15-10-6-5-7-11-15/h5-13,18H,2,4H2,1,3H3
InChIKeyKTVBLBKBKQTAFK-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.49
Rot. Bonds6

About 1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate

1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate (PubChem CID 175289808) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
PubChem CID175289808
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H20O3/c1-4-18(23-20(22)14(2)3)16-12-8-9-13-17(16)19(21)15-10-6-5-7-11-15/h5-13,18H,2,4H2,1,3H3
InChIKeyKTVBLBKBKQTAFK-UHFFFAOYSA-N
XLogP4.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-propylphenyl)propyl 2-methylprop-2-enoate
CID 174492886
(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 23128537
1-(4-benzoyl-3-hydroxyphenoxy)butan-2-yl 2-methylprop-2-enoate
CID 23434433
4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone
CID 175127791
3-(2-benzoylphenyl)butan-2-one
CID 69061840
[2,3-di(butan-2-yl)phenyl]-phenylmethanone
CID 67337548
1-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl 2-methylprop-2-enoate
CID 174820774
(2-nonan-4-ylphenyl)-phenylmethanone
CID 54511244
1-phenylnonyl 2-methylprop-2-enoate
CID 22335755
1-phenyldecyl 2-methylprop-2-enoate
CID 140764423
3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
CID 159477201
(2-nitro-1-phenylethyl) 2-methylprop-2-enoate
CID 70388318

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate?
The IUPAC name of 1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate (CID 175289808) is 1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate?
The InChIKey is KTVBLBKBKQTAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-4-18(23-20(22)14(2)3)16-12-8-9-13-17(16)19(21)15-10-6-5-7-11-15/h5-13,18H,2,4H2,1,3H3.
What are the key properties of 1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate?
1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate has a molecular weight of 308.38 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 175289808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).