2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one

C23H38O4 — CID 155206948

IUPAC2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one
SMILESCC(C)(C)Oc1cc(OC(C)(C)C)c(C(=O)C(C)(C)C)cc1OC(C)(C)C
InChIInChI=1S/C23H38O4/c1-20(2,3)19(24)15-13-17(26-22(7,8)9)18(27-23(10,11)12)14-16(15)25-21(4,5)6/h13-14H,1-12H3
InChIKeyQHWQEPOPNAVYTJ-UHFFFAOYSA-N
MW378.55 g/mol
LogP6.45
Rot. Bonds4

About 2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one

2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one (PubChem CID 155206948) has the molecular formula C23H38O4 and a molecular weight of 378.55 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one
PubChem CID155206948
Molecular FormulaC23H38O4
Molecular Weight378.55 g/mol
Exact Mass378.28
IUPAC Name2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one
SMILESCC(C)(C)Oc1cc(OC(C)(C)C)c(C(=O)C(C)(C)C)cc1OC(C)(C)C
InChIInChI=1S/C23H38O4/c1-20(2,3)19(24)15-13-17(26-22(7,8)9)18(27-23(10,11)12)14-16(15)25-21(4,5)6/h13-14H,1-12H3
InChIKeyQHWQEPOPNAVYTJ-UHFFFAOYSA-N
XLogP6.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.55
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one
CID 21060132
4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline
CID 83008446
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-one
CID 65438555
1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052432
carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 137455638
2-[(2-methylpropan-2-yl)oxy]benzamide
CID 23204949
2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one
CID 155206857
calcium bis(2-[(2-methylpropan-2-yl)oxy]benzoate)
CID 141091959
1-(2,5-dichloro-3-fluorophenyl)-2,2-dimethylpropan-1-one
CID 146009509
(2-tert-Butoxy-4,6-di-tert-butylphenyl)oxidanyl
CID 165356532
2-acetyl-5-(2,2-dimethylpropanoyl)terephthalic acid
CID 89488713

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one (CID 155206948) is 2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one is CC(C)(C)Oc1cc(OC(C)(C)C)c(C(=O)C(C)(C)C)cc1OC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one?
The InChIKey is QHWQEPOPNAVYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O4/c1-20(2,3)19(24)15-13-17(26-22(7,8)9)18(27-23(10,11)12)14-16(15)25-21(4,5)6/h13-14H,1-12H3.
What are the key properties of 2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one?
2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one has a molecular weight of 378.55 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one is sourced from PubChem (CID 155206948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).