ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate

C28H22O3 — CID 59266192

IUPACethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C28H22O3/c1-2-31-28(30)26-18-14-23(15-19-26)21-10-8-20(9-11-21)22-12-16-25(17-13-22)27(29)24-6-4-3-5-7-24/h3-19H,2H2,1H3
InChIKeyZRQSROOJAAFPCP-UHFFFAOYSA-N
MW406.48 g/mol
LogP6.43
Rot. Bonds6

About ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate

ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate (PubChem CID 59266192) has the molecular formula C28H22O3 and a molecular weight of 406.48 g/mol. Its IUPAC name is ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
PubChem CID59266192
Molecular FormulaC28H22O3
Molecular Weight406.48 g/mol
Exact Mass406.16
IUPAC Nameethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C28H22O3/c1-2-31-28(30)26-18-14-23(15-19-26)21-10-8-20(9-11-21)22-12-16-25(17-13-22)27(29)24-6-4-3-5-7-24/h3-19H,2H2,1H3
InChIKeyZRQSROOJAAFPCP-UHFFFAOYSA-N
XLogP6.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174703430
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
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CID 23150750
CID 158970570
CID 158970570
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 4-(N-[4-[4-(N-(4-ethoxycarbonylphenyl)anilino)phenyl]phenyl]anilino)benzoate
CID 69243202
ethyl 4-[4-(N-[4-(4-ethoxycarbonylphenyl)phenyl]-4-phenylanilino)phenyl]benzoate
CID 14669998
chloroethane;ethyl benzoate
CID 91175503
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
(2-ethoxy-2-oxoethyl) 4-phenylbenzoate
CID 78788675
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate?
The IUPAC name of ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate (CID 59266192) is ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate.
What is the SMILES notation for ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate?
The canonical SMILES for ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate is CCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate?
The InChIKey is ZRQSROOJAAFPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O3/c1-2-31-28(30)26-18-14-23(15-19-26)21-10-8-20(9-11-21)22-12-16-25(17-13-22)27(29)24-6-4-3-5-7-24/h3-19H,2H2,1H3.
What are the key properties of ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate?
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate has a molecular weight of 406.48 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate is sourced from PubChem (CID 59266192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).