2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one

C21H26O3 — CID 155206857

IUPAC2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one
SMILESCC(C)(C)Oc1ccc(Oc2ccc(C(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26O3/c1-20(2,3)19(22)15-7-9-16(10-8-15)23-17-11-13-18(14-12-17)24-21(4,5)6/h7-14H,1-6H3
InChIKeyRYOFBRRSXXPWBJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.89
Rot. Bonds4

About 2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one

2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one (PubChem CID 155206857) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one
PubChem CID155206857
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one
SMILESCC(C)(C)Oc1ccc(Oc2ccc(C(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26O3/c1-20(2,3)19(22)15-7-9-16(10-8-15)23-17-11-13-18(14-12-17)24-21(4,5)6/h7-14H,1-6H3
InChIKeyRYOFBRRSXXPWBJ-UHFFFAOYSA-N
XLogP5.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(4-tert-butylphenoxy)phenoxy]phenyl]-2,2-dimethylpropan-1-one
CID 20643573
2,2,3,3,3-pentafluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one
CID 146005397
2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one
CID 146008854
(4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone
CID 162436505
1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
CID 143868791
2,2-dimethyl-1-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenyl]butan-1-one
CID 70658144
1-[4-[(E)-4-[4-(2,2-dimethylpropanoyl)phenyl]-2,2,5,5-tetramethylhex-3-en-3-yl]phenyl]-2,2-dimethylpropan-1-one
CID 15372819
1-[3-(2,2-dimethylpropanoyl)-4-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one;1-[3-(2,2-dimethylpropanoyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one
CID 158927879
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
[4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 143546093
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
[4-(dimethylamino)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005383

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one (CID 155206857) is 2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one is CC(C)(C)Oc1ccc(Oc2ccc(C(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of 2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one?
The InChIKey is RYOFBRRSXXPWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-20(2,3)19(22)15-7-9-16(10-8-15)23-17-11-13-18(14-12-17)24-21(4,5)6/h7-14H,1-6H3.
What are the key properties of 2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one?
2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one has a molecular weight of 326.44 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one is sourced from PubChem (CID 155206857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).