1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one

C25H30O4 — CID 150347658

IUPAC1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one
SMILESCCOc1ccc(C(=O)c2ccc(C(=O)C(C)(C)C)cc2C(=O)C(C)(C)C)cc1
InChIInChI=1S/C25H30O4/c1-8-29-18-12-9-16(10-13-18)21(26)19-14-11-17(22(27)24(2,3)4)15-20(19)23(28)25(5,6)7/h9-15H,8H2,1-7H3
InChIKeyGTBHBPUQTWCSGX-UHFFFAOYSA-N
MW394.51 g/mol
LogP5.77
Rot. Bonds6

About 1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one

1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one (PubChem CID 150347658) has the molecular formula C25H30O4 and a molecular weight of 394.51 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one
PubChem CID150347658
Molecular FormulaC25H30O4
Molecular Weight394.51 g/mol
Exact Mass394.21
IUPAC Name1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one
SMILESCCOc1ccc(C(=O)c2ccc(C(=O)C(C)(C)C)cc2C(=O)C(C)(C)C)cc1
InChIInChI=1S/C25H30O4/c1-8-29-18-12-9-16(10-13-18)21(26)19-14-11-17(22(27)24(2,3)4)15-20(19)23(28)25(5,6)7/h9-15H,8H2,1-7H3
InChIKeyGTBHBPUQTWCSGX-UHFFFAOYSA-N
XLogP5.77
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one 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

(4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 151405444
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127
1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one
CID 43337638
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
CID 143868791
(4-aminophenyl)-(2,5-diethoxyphenyl)methanone
CID 82267801
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
2-(4-ethoxyphenoxy)terephthalic acid
CID 19865560
4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
2,2-dimethyl-1-(4-pentadecoxyphenyl)propan-1-one
CID 59409741

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one (CID 150347658) is 1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one is CCOc1ccc(C(=O)c2ccc(C(=O)C(C)(C)C)cc2C(=O)C(C)(C)C)cc1.
What is the InChIKey of 1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is GTBHBPUQTWCSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O4/c1-8-29-18-12-9-16(10-13-18)21(26)19-14-11-17(22(27)24(2,3)4)15-20(19)23(28)25(5,6)7/h9-15H,8H2,1-7H3.
What are the key properties of 1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one?
1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 394.51 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 150347658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).