diphenylmethanone;1-phenylbut-3-en-1-one

C23H20O2 — CID 122640182

IUPACdiphenylmethanone;1-phenylbut-3-en-1-one
SMILESC=CCC(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C10H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-6-10(11)9-7-4-3-5-8-9/h1-10H;2-5,7-8H,1,6H2
InChIKeyBPMINJXPQLTXOJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.36
Rot. Bonds5

About diphenylmethanone;1-phenylbut-3-en-1-one

diphenylmethanone;1-phenylbut-3-en-1-one (PubChem CID 122640182) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is diphenylmethanone;1-phenylbut-3-en-1-one.

Molecular Properties

Compound Namediphenylmethanone;1-phenylbut-3-en-1-one
PubChem CID122640182
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Namediphenylmethanone;1-phenylbut-3-en-1-one
SMILESC=CCC(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C10H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-6-10(11)9-7-4-3-5-8-9/h1-10H;2-5,7-8H,1,6H2
InChIKeyBPMINJXPQLTXOJ-UHFFFAOYSA-N
XLogP5.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 69107757
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CID 61380184
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CID 173206962
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Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;1-phenylbut-3-en-1-one?
The IUPAC name of diphenylmethanone;1-phenylbut-3-en-1-one (CID 122640182) is diphenylmethanone;1-phenylbut-3-en-1-one.
What is the SMILES notation for diphenylmethanone;1-phenylbut-3-en-1-one?
The canonical SMILES for diphenylmethanone;1-phenylbut-3-en-1-one is C=CCC(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanone;1-phenylbut-3-en-1-one?
The InChIKey is BPMINJXPQLTXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C10H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-6-10(11)9-7-4-3-5-8-9/h1-10H;2-5,7-8H,1,6H2.
What are the key properties of diphenylmethanone;1-phenylbut-3-en-1-one?
diphenylmethanone;1-phenylbut-3-en-1-one has a molecular weight of 328.41 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;1-phenylbut-3-en-1-one is sourced from PubChem (CID 122640182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).