[4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate

C30H24O6 — CID 3910563

IUPAC[4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)C(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C30H24O6/c1-34-26-14-8-13-24(19-26)29(32)36-25-17-15-21(16-18-25)27(31)20-35-30(33)28(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-19,28H,20H2,1H3
InChIKeyHYXZEOIRQSHPPQ-UHFFFAOYSA-N
MW480.52 g/mol
LogP5.47
Rot. Bonds9

About [4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate

[4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate (PubChem CID 3910563) has the molecular formula C30H24O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is [4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate.

Molecular Properties

Compound Name[4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate
PubChem CID3910563
Molecular FormulaC30H24O6
Molecular Weight480.52 g/mol
Exact Mass480.16
IUPAC Name[4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)C(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C30H24O6/c1-34-26-14-8-13-24(19-26)29(32)36-25-17-15-21(16-18-25)27(31)20-35-30(33)28(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-19,28H,20H2,1H3
InChIKeyHYXZEOIRQSHPPQ-UHFFFAOYSA-N
XLogP5.47
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[2-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]oxyacetyl]phenyl] 3-methoxybenzoate
CID 19646025
phenacyl 2,2-diphenylacetate
CID 597416
[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
CID 795003
[4-(2-hexa-2,4-dienoyloxyacetyl)phenyl] 3-methoxybenzoate
CID 4239385
[4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate
CID 1218467
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 3-bromobenzoate
CID 1218403
[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 4271424
[4-[2-[2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-4-methylpentanoyl]oxyacetyl]phenyl] 3-methoxybenzoate
CID 19645997
[4-[4-(3-methoxybenzoyl)oxyphenyl]sulfonylphenyl] 3-methoxybenzoate
CID 988900
(4-cyanophenyl) 3-methoxybenzoate
CID 532539
[4-[2-[2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetyl]oxyacetyl]phenyl] 3-methoxybenzoate
CID 19646018
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate?
The IUPAC name of [4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate (CID 3910563) is [4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate.
What is the SMILES notation for [4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate?
The canonical SMILES for [4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate is COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)C(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of [4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate?
The InChIKey is HYXZEOIRQSHPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O6/c1-34-26-14-8-13-24(19-26)29(32)36-25-17-15-21(16-18-25)27(31)20-35-30(33)28(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-19,28H,20H2,1H3.
What are the key properties of [4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate?
[4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate has a molecular weight of 480.52 g/mol, XLogP of 5.47, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate is sourced from PubChem (CID 3910563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).