2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one

C22H26O4 — CID 139664268

IUPAC2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one
SMILESCC(C)(C)C(=O)c1c(OCc2ccccc2)cccc1C1(C)OCCO1
InChIInChI=1S/C22H26O4/c1-21(2,3)20(23)19-17(22(4)25-13-14-26-22)11-8-12-18(19)24-15-16-9-6-5-7-10-16/h5-12H,13-15H2,1-4H3
InChIKeyZUEHEWMYINYTEU-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.71
Rot. Bonds5

About 2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one

2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one (PubChem CID 139664268) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one
PubChem CID139664268
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one
SMILESCC(C)(C)C(=O)c1c(OCc2ccccc2)cccc1C1(C)OCCO1
InChIInChI=1S/C22H26O4/c1-21(2,3)20(23)19-17(22(4)25-13-14-26-22)11-8-12-18(19)24-15-16-9-6-5-7-10-16/h5-12H,13-15H2,1-4H3
InChIKeyZUEHEWMYINYTEU-UHFFFAOYSA-N
XLogP4.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one (CID 139664268) is 2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one is CC(C)(C)C(=O)c1c(OCc2ccccc2)cccc1C1(C)OCCO1.
What is the InChIKey of 2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one?
The InChIKey is ZUEHEWMYINYTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c1-21(2,3)20(23)19-17(22(4)25-13-14-26-22)11-8-12-18(19)24-15-16-9-6-5-7-10-16/h5-12H,13-15H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one?
2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one has a molecular weight of 354.45 g/mol, XLogP of 4.71, 5 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-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one is sourced from PubChem (CID 139664268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).