(E)-1,2,4,4-tetraphenylpent-2-en-1-one

C29H24O — CID 101103780

IUPAC(E)-1,2,4,4-tetraphenylpent-2-en-1-one
SMILESCC(/C=C(/C(=O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24O/c1-29(25-18-10-4-11-19-25,26-20-12-5-13-21-26)22-27(23-14-6-2-7-15-23)28(30)24-16-8-3-9-17-24/h2-22H,1H3/b27-22+
InChIKeyVRNVAQGCFRKYQU-HPNDGRJYSA-N
MW388.51 g/mol
LogP6.96
Rot. Bonds6

About (E)-1,2,4,4-tetraphenylpent-2-en-1-one

(E)-1,2,4,4-tetraphenylpent-2-en-1-one (PubChem CID 101103780) has the molecular formula C29H24O and a molecular weight of 388.51 g/mol. Its IUPAC name is (E)-1,2,4,4-tetraphenylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-1,2,4,4-tetraphenylpent-2-en-1-one
PubChem CID101103780
Molecular FormulaC29H24O
Molecular Weight388.51 g/mol
Exact Mass388.18
IUPAC Name(E)-1,2,4,4-tetraphenylpent-2-en-1-one
SMILESCC(/C=C(/C(=O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24O/c1-29(25-18-10-4-11-19-25,26-20-12-5-13-21-26)22-27(23-14-6-2-7-15-23)28(30)24-16-8-3-9-17-24/h2-22H,1H3/b27-22+
InChIKeyVRNVAQGCFRKYQU-HPNDGRJYSA-N
XLogP6.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(E)-1,2-diphenylpent-2-en-1-one
CID 14568344
2-(4-bromophenyl)-4,4,4-trifluoro-1-phenylbut-2-en-1-one
CID 71421957
(Z)-1,2,4-triphenylbut-2-ene-1,4-dione
CID 5369696
3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane
CID 90689450
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione bromide
CID 86754555
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
(E)-2-(4-bromophenyl)-1-phenylbut-2-en-1-one
CID 135044201
[(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate
CID 139093323

Frequently Asked Questions

What is the IUPAC name of (E)-1,2,4,4-tetraphenylpent-2-en-1-one?
The IUPAC name of (E)-1,2,4,4-tetraphenylpent-2-en-1-one (CID 101103780) is (E)-1,2,4,4-tetraphenylpent-2-en-1-one.
What is the SMILES notation for (E)-1,2,4,4-tetraphenylpent-2-en-1-one?
The canonical SMILES for (E)-1,2,4,4-tetraphenylpent-2-en-1-one is CC(/C=C(/C(=O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,2,4,4-tetraphenylpent-2-en-1-one?
The InChIKey is VRNVAQGCFRKYQU-HPNDGRJYSA-N. The full InChI is InChI=1S/C29H24O/c1-29(25-18-10-4-11-19-25,26-20-12-5-13-21-26)22-27(23-14-6-2-7-15-23)28(30)24-16-8-3-9-17-24/h2-22H,1H3/b27-22+.
What are the key properties of (E)-1,2,4,4-tetraphenylpent-2-en-1-one?
(E)-1,2,4,4-tetraphenylpent-2-en-1-one has a molecular weight of 388.51 g/mol, XLogP of 6.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2,4,4-tetraphenylpent-2-en-1-one is sourced from PubChem (CID 101103780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).