1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane

C22H24O5 — CID 142513776

IUPAC1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane
SMILESCC.CC(=O)c1cc(Oc2cc(C(C)=O)cc(C(C)=O)c2)cc(C(C)=O)c1
InChIInChI=1S/C20H18O5.C2H6/c1-11(21)15-5-16(12(2)22)8-19(7-15)25-20-9-17(13(3)23)6-18(10-20)14(4)24;1-2/h5-10H,1-4H3;1-2H3
InChIKeyKPEULZVHUPQCNR-UHFFFAOYSA-N
MW368.43 g/mol
LogP5.32
Rot. Bonds6

About 1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane

1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane (PubChem CID 142513776) has the molecular formula C22H24O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane.

Molecular Properties

Compound Name1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane
PubChem CID142513776
Molecular FormulaC22H24O5
Molecular Weight368.43 g/mol
Exact Mass368.16
IUPAC Name1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane
SMILESCC.CC(=O)c1cc(Oc2cc(C(C)=O)cc(C(C)=O)c2)cc(C(C)=O)c1
InChIInChI=1S/C20H18O5.C2H6/c1-11(21)15-5-16(12(2)22)8-19(7-15)25-20-9-17(13(3)23)6-18(10-20)14(4)24;1-2/h5-10H,1-4H3;1-2H3
InChIKeyKPEULZVHUPQCNR-UHFFFAOYSA-N
XLogP5.32
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 55.32
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-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one
CID 155206864
1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820
1-(3-acetyl-5-methylphenyl)ethanone;ethane
CID 142103327
ethane;1-(3-hydroxy-5-methoxyphenyl)ethanone
CID 145053959
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
1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone
CID 160658832
3,5-diacetyl-N-methylbenzamide;ethane
CID 142854666
[3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
CID 11011847
1-[3,5-bis(3-hydroxypropoxy)phenyl]ethanone
CID 118893996
4-(4-acetylphenoxy)benzoic acid
CID 60723234

Frequently Asked Questions

What is the IUPAC name of 1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane?
The IUPAC name of 1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane (CID 142513776) is 1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane.
What is the SMILES notation for 1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane?
The canonical SMILES for 1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane is CC.CC(=O)c1cc(Oc2cc(C(C)=O)cc(C(C)=O)c2)cc(C(C)=O)c1.
What is the InChIKey of 1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane?
The InChIKey is KPEULZVHUPQCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5.C2H6/c1-11(21)15-5-16(12(2)22)8-19(7-15)25-20-9-17(13(3)23)6-18(10-20)14(4)24;1-2/h5-10H,1-4H3;1-2H3.
What are the key properties of 1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane?
1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane has a molecular weight of 368.43 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane is sourced from PubChem (CID 142513776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).