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

C34H26O3 — CID 167435267

IUPAC2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione
SMILESO=C(CC(C(=O)c1ccccc1)(c1ccccc1)c1ccc(Oc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C34H26O3/c35-32(26-13-5-1-6-14-26)25-34(28-17-9-3-10-18-28,33(36)27-15-7-2-8-16-27)29-21-23-31(24-22-29)37-30-19-11-4-12-20-30/h1-24H,25H2
InChIKeyXOVRLSSUJOWYDA-UHFFFAOYSA-N
MW482.58 g/mol
LogP7.92
Rot. Bonds9

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

2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione (PubChem CID 167435267) has the molecular formula C34H26O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione
PubChem CID167435267
Molecular FormulaC34H26O3
Molecular Weight482.58 g/mol
Exact Mass482.19
IUPAC Name2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione
SMILESO=C(CC(C(=O)c1ccccc1)(c1ccccc1)c1ccc(Oc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C34H26O3/c35-32(26-13-5-1-6-14-26)25-34(28-17-9-3-10-18-28,33(36)27-15-7-2-8-16-27)29-21-23-31(24-22-29)37-30-19-11-4-12-20-30/h1-24H,25H2
InChIKeyXOVRLSSUJOWYDA-UHFFFAOYSA-N
XLogP7.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-bis(4-chlorophenyl)-1,4-diphenylbutane-1,4-dione
CID 167435249
2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione
CID 167435265
3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one
CID 43337660
2-fluoro-1-(4-phenoxyphenyl)ethanone
CID 141218544
3,3-dibromo-1,3-diphenylpropan-1-one
CID 175272967
2-phenacyl-2-phenylpropanedial
CID 175444896
4-phenoxybenzoic acid;hydrochloride
CID 70385625
3-oxo-3-(4-phenoxyphenyl)-2,2-bis(sulfanyl)propanoic acid
CID 88840278
methyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate
CID 19797930
4-phenoxybenzoyl bromide
CID 116924551
4-hydroxy-1-(4-phenoxyphenyl)butan-1-one
CID 98016741
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione?
The IUPAC name of 2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione (CID 167435267) is 2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione.
What is the SMILES notation for 2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione?
The canonical SMILES for 2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione is O=C(CC(C(=O)c1ccccc1)(c1ccccc1)c1ccc(Oc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione?
The InChIKey is XOVRLSSUJOWYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26O3/c35-32(26-13-5-1-6-14-26)25-34(28-17-9-3-10-18-28,33(36)27-15-7-2-8-16-27)29-21-23-31(24-22-29)37-30-19-11-4-12-20-30/h1-24H,25H2.
What are the key properties of 2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione?
2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione has a molecular weight of 482.58 g/mol, XLogP of 7.92, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione is sourced from PubChem (CID 167435267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).