1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one

C19H16O2 — CID 134845290

IUPAC1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one
SMILESC=CCC(=O)c1ccccc1-c1ccccc1C(=O)C=C
InChIInChI=1S/C19H16O2/c1-3-9-19(21)17-13-8-6-11-15(17)14-10-5-7-12-16(14)18(20)4-2/h3-8,10-13H,1-2,9H2
InChIKeyGWDRTWKEJSNGTF-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.48
Rot. Bonds6

About 1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one

1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one (PubChem CID 134845290) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one.

Molecular Properties

Compound Name1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one
PubChem CID134845290
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one
SMILESC=CCC(=O)c1ccccc1-c1ccccc1C(=O)C=C
InChIInChI=1S/C19H16O2/c1-3-9-19(21)17-13-8-6-11-15(17)14-10-5-7-12-16(14)18(20)4-2/h3-8,10-13H,1-2,9H2
InChIKeyGWDRTWKEJSNGTF-UHFFFAOYSA-N
XLogP4.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyphenyl)but-3-en-1-one
CID 68794412
1-naphthalen-1-ylbut-3-en-1-one
CID 11030731
1-[2-(2,3,4-trimethoxyphenyl)phenyl]prop-2-en-1-one
CID 118550411
1-(3-aminonaphthalen-2-yl)but-3-en-1-one
CID 116560321
1-(2-hexylphenyl)but-3-en-1-one
CID 174990996
diphenylmethanone;1-phenylbut-3-en-1-one
CID 122640182
1-(2,3-difluorophenyl)but-3-en-1-one
CID 116659426
1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one
CID 174515544
1-(2-chloro-3-fluorophenyl)but-3-en-1-one
CID 114964267
1-(3-chloro-2-fluorophenyl)but-3-en-1-one
CID 64713430
(2-prop-2-enoylphenyl) 2-oxoacetate
CID 87741605
1-quinoxalin-5-ylbut-3-en-1-one
CID 105083186

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one?
The IUPAC name of 1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one (CID 134845290) is 1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one.
What is the SMILES notation for 1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one?
The canonical SMILES for 1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one is C=CCC(=O)c1ccccc1-c1ccccc1C(=O)C=C.
What is the InChIKey of 1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one?
The InChIKey is GWDRTWKEJSNGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-3-9-19(21)17-13-8-6-11-15(17)14-10-5-7-12-16(14)18(20)4-2/h3-8,10-13H,1-2,9H2.
What are the key properties of 1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one?
1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one has a molecular weight of 276.34 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-prop-2-enoylphenyl)phenyl]but-3-en-1-one is sourced from PubChem (CID 134845290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).