(Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione

C24H20O2 — CID 6271655

IUPAC(Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione
SMILESCc1ccc(C(=O)/C=C(\C(=O)c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C24H20O2/c1-17-13-14-21(15-18(17)2)23(25)16-22(19-9-5-3-6-10-19)24(26)20-11-7-4-8-12-20/h3-16H,1-2H3/b22-16-
InChIKeyHVHMRTQSZJQKOB-JWGURIENSA-N
MW340.42 g/mol
LogP5.45
Rot. Bonds5

About (Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione

(Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione (PubChem CID 6271655) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is (Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione.

Molecular Properties

Compound Name(Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione
PubChem CID6271655
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name(Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione
SMILESCc1ccc(C(=O)/C=C(\C(=O)c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C24H20O2/c1-17-13-14-21(15-18(17)2)23(25)16-22(19-9-5-3-6-10-19)24(26)20-11-7-4-8-12-20/h3-16H,1-2H3/b22-16-
InChIKeyHVHMRTQSZJQKOB-JWGURIENSA-N
XLogP5.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione with MolForge

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Related Compounds

(Z)-1,2,4-triphenylbut-2-ene-1,4-dione
CID 5369696
(2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione
CID 139037325
(Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 19616589
(E)-2-(4-bromophenyl)-1-phenylbut-2-en-1-one
CID 135044201
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(E)-1,2-diphenylpent-2-en-1-one
CID 14568344
3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane
CID 90689450
bis(1,2-diphenylethane-1,2-dione);silylidenezirconium
CID 158973097
(E)-3-(2,3-dichlorophenyl)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 7947478
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione?
The IUPAC name of (Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione (CID 6271655) is (Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione.
What is the SMILES notation for (Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione?
The canonical SMILES for (Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione is Cc1ccc(C(=O)/C=C(\C(=O)c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of (Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione?
The InChIKey is HVHMRTQSZJQKOB-JWGURIENSA-N. The full InChI is InChI=1S/C24H20O2/c1-17-13-14-21(15-18(17)2)23(25)16-22(19-9-5-3-6-10-19)24(26)20-11-7-4-8-12-20/h3-16H,1-2H3/b22-16-.
What are the key properties of (Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione?
(Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione has a molecular weight of 340.42 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione is sourced from PubChem (CID 6271655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).