1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one

C24H30O4 — CID 143868791

IUPAC1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccc(OCCOc2ccc(C(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H30O4/c1-23(2,3)21(25)17-7-11-19(12-8-17)27-15-16-28-20-13-9-18(10-14-20)22(26)24(4,5)6/h7-14H,15-16H2,1-6H3
InChIKeyZPMZGCVWHWANDB-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.60
Rot. Bonds7

About 1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one

1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one (PubChem CID 143868791) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
PubChem CID143868791
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccc(OCCOc2ccc(C(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H30O4/c1-23(2,3)21(25)17-7-11-19(12-8-17)27-15-16-28-20-13-9-18(10-14-20)22(26)24(4,5)6/h7-14H,15-16H2,1-6H3
InChIKeyZPMZGCVWHWANDB-UHFFFAOYSA-N
XLogP5.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1-(4-pentadecoxyphenyl)propan-1-one
CID 59409741
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one
CID 123960079
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
CID 67978987
2-chloro-1-[4-(2-chloroethoxy)phenyl]-2-methylpropan-1-one
CID 163215959
2-hydroxy-1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methylpropan-1-one
CID 22956687
tris[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl] benzene-1,3,5-tricarboxylate
CID 135308581
ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one
CID 144680496
2-hydroxy-1-[4-[2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyldisulfanyl]ethoxy]phenyl]-2-methylpropan-1-one
CID 162507967
1-[4-[4-(4-tert-butylphenoxy)phenoxy]phenyl]-2,2-dimethylpropan-1-one
CID 20643573
2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate
CID 59265217

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one (CID 143868791) is 1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1ccc(OCCOc2ccc(C(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is ZPMZGCVWHWANDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-23(2,3)21(25)17-7-11-19(12-8-17)27-15-16-28-20-13-9-18(10-14-20)22(26)24(4,5)6/h7-14H,15-16H2,1-6H3.
What are the key properties of 1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one?
1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 382.50 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 143868791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).