2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione

C30H26O2 — CID 167435265

IUPAC2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione
SMILESCCc1ccc(C(CC(=O)c2ccccc2)(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H26O2/c1-2-23-18-20-27(21-19-23)30(26-16-10-5-11-17-26,29(32)25-14-8-4-9-15-25)22-28(31)24-12-6-3-7-13-24/h3-21H,2,22H2,1H3
InChIKeyUVSOTHZNNKVIPM-UHFFFAOYSA-N
MW418.54 g/mol
LogP6.69
Rot. Bonds8

About 2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione

2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione (PubChem CID 167435265) has the molecular formula C30H26O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione
PubChem CID167435265
Molecular FormulaC30H26O2
Molecular Weight418.54 g/mol
Exact Mass418.19
IUPAC Name2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione
SMILESCCc1ccc(C(CC(=O)c2ccccc2)(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H26O2/c1-2-23-18-20-27(21-19-23)30(26-16-10-5-11-17-26,29(32)25-14-8-4-9-15-25)22-28(31)24-12-6-3-7-13-24/h3-21H,2,22H2,1H3
InChIKeyUVSOTHZNNKVIPM-UHFFFAOYSA-N
XLogP6.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-bis(4-chlorophenyl)-1,4-diphenylbutane-1,4-dione
CID 167435249
2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione
CID 167435267
(4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one
CID 154665815
4-(4-ethylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727213
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
(3R)-3-methyl-1,3-diphenylpentan-1-one
CID 102205590
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
1-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 22947144
3,3-dibromo-1,3-diphenylpropan-1-one
CID 175272967
3-acetyl-3-benzoyl-1-phenylpentane-1,4-dione
CID 123830583
2-phenacyl-2-phenylpropanedial
CID 175444896
(4-ethylphenyl)-phenylmethanediamine
CID 139628675

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione?
The IUPAC name of 2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione (CID 167435265) is 2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione.
What is the SMILES notation for 2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione?
The canonical SMILES for 2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione is CCc1ccc(C(CC(=O)c2ccccc2)(C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione?
The InChIKey is UVSOTHZNNKVIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O2/c1-2-23-18-20-27(21-19-23)30(26-16-10-5-11-17-26,29(32)25-14-8-4-9-15-25)22-28(31)24-12-6-3-7-13-24/h3-21H,2,22H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione?
2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione has a molecular weight of 418.54 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione is sourced from PubChem (CID 167435265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).