1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone

C20H18O5 — CID 142513728

IUPAC1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(C(C)=O)c(C(C)=O)c2)cc1C(C)=O
InChIInChI=1S/C20H18O5/c1-11(21)17-7-5-15(9-19(17)13(3)23)25-16-6-8-18(12(2)22)20(10-16)14(4)24/h5-10H,1-4H3
InChIKeyVOOOJFAZPHXQOQ-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.29
Rot. Bonds6

About 1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone

1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone (PubChem CID 142513728) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone
PubChem CID142513728
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(C(C)=O)c(C(C)=O)c2)cc1C(C)=O
InChIInChI=1S/C20H18O5/c1-11(21)17-7-5-15(9-19(17)13(3)23)25-16-6-8-18(12(2)22)20(10-16)14(4)24/h5-10H,1-4H3
InChIKeyVOOOJFAZPHXQOQ-UHFFFAOYSA-N
XLogP4.29
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]-2-methylpropan-1-one
CID 167100895
1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
CID 166874046
1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone
CID 677479
1-[2-amino-5-(4-iodophenoxy)phenyl]ethanone
CID 104613269
1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 104529311
1-[2-amino-4-(4-iodophenoxy)phenyl]ethanone
CID 113423320
2-acetyl-5-methoxybenzenecarbodithioic acid
CID 101216165
ditert-butyl 4-[3,4-bis[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]benzene-1,2-dicarboxylate
CID 100990281
ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone
CID 144993710
1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267161
1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone
CID 107168510
1-(3-acetylnaphthalen-2-yl)ethanone
CID 13300196

Frequently Asked Questions

What is the IUPAC name of 1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone (CID 142513728) is 1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2ccc(C(C)=O)c(C(C)=O)c2)cc1C(C)=O.
What is the InChIKey of 1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone?
The InChIKey is VOOOJFAZPHXQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-11(21)17-7-5-15(9-19(17)13(3)23)25-16-6-8-18(12(2)22)20(10-16)14(4)24/h5-10H,1-4H3.
What are the key properties of 1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone?
1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone has a molecular weight of 338.36 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone is sourced from PubChem (CID 142513728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).