1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one

C24H26O5 — CID 155206864

IUPAC1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one
SMILESCC(=O)c1cc(Oc2cc(C(=O)C(C)C)cc(C(=O)C(C)C)c2)cc(C(C)=O)c1
InChIInChI=1S/C24H26O5/c1-13(2)23(27)19-8-20(24(28)14(3)4)12-22(11-19)29-21-9-17(15(5)25)7-18(10-21)16(6)26/h7-14H,1-6H3
InChIKeyLCISAFOOBBCWEG-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.56
Rot. Bonds8

About 1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one

1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one (PubChem CID 155206864) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one
PubChem CID155206864
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Name1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one
SMILESCC(=O)c1cc(Oc2cc(C(=O)C(C)C)cc(C(=O)C(C)C)c2)cc(C(C)=O)c1
InChIInChI=1S/C24H26O5/c1-13(2)23(27)19-8-20(24(28)14(3)4)12-22(11-19)29-21-9-17(15(5)25)7-18(10-21)16(6)26/h7-14H,1-6H3
InChIKeyLCISAFOOBBCWEG-UHFFFAOYSA-N
XLogP5.56
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-acetyl-5-[3-acetyl-5-(2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one
CID 167100943
1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane
CID 142513776
1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane
CID 142455262
1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]-2-methylpropan-1-one
CID 167100895
1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one
CID 81252335
2-methyl-1-phenylpropan-1-one;1-phenylethanone
CID 162124258
1-[3,5-bis(propan-2-ylamino)phenyl]-2-methylpropan-1-one;methane;2-methyl-1-[3-(2-methylpropanoyl)-5-(propan-2-ylamino)phenyl]propan-1-one;1-N,3-N,5-N-tri(propan-2-yl)benzene-1,3,5-triamine
CID 161220157
1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820
2-methyl-1-(3,4,5-trihydroxyphenyl)propan-1-one
CID 162169030
2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one
CID 59440305
1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone
CID 176917432
1-[3-acetyl-5-[4-[4-(4-methylphenoxy)phenoxy]benzoyl]phenyl]ethanone
CID 118516092

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one (CID 155206864) is 1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one is CC(=O)c1cc(Oc2cc(C(=O)C(C)C)cc(C(=O)C(C)C)c2)cc(C(C)=O)c1.
What is the InChIKey of 1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one?
The InChIKey is LCISAFOOBBCWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O5/c1-13(2)23(27)19-8-20(24(28)14(3)4)12-22(11-19)29-21-9-17(15(5)25)7-18(10-21)16(6)26/h7-14H,1-6H3.
What are the key properties of 1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one?
1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one has a molecular weight of 394.47 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 155206864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).