(E)-1,4-diphenylbut-3-en-1-one

C16H14O — CID 5369654

IUPAC(E)-1,4-diphenylbut-3-en-1-one
SMILESO=C(C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7+
InChIKeyGBUFRJCGZJNUSB-JXMROGBWSA-N
MW222.29 g/mol
LogP3.97
Rot. Bonds4

About (E)-1,4-diphenylbut-3-en-1-one

(E)-1,4-diphenylbut-3-en-1-one (PubChem CID 5369654) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is (E)-1,4-diphenylbut-3-en-1-one.

Molecular Properties

Compound Name(E)-1,4-diphenylbut-3-en-1-one
PubChem CID5369654
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name(E)-1,4-diphenylbut-3-en-1-one
SMILESO=C(C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7+
InChIKeyGBUFRJCGZJNUSB-JXMROGBWSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1,4-diphenylbut-3-en-1-one?
The IUPAC name of (E)-1,4-diphenylbut-3-en-1-one (CID 5369654) is (E)-1,4-diphenylbut-3-en-1-one.
What is the SMILES notation for (E)-1,4-diphenylbut-3-en-1-one?
The canonical SMILES for (E)-1,4-diphenylbut-3-en-1-one is O=C(C/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,4-diphenylbut-3-en-1-one?
The InChIKey is GBUFRJCGZJNUSB-JXMROGBWSA-N. The full InChI is InChI=1S/C16H14O/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7+.
What are the key properties of (E)-1,4-diphenylbut-3-en-1-one?
(E)-1,4-diphenylbut-3-en-1-one has a molecular weight of 222.29 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-diphenylbut-3-en-1-one is sourced from PubChem (CID 5369654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).