benzyl 2,4-dibenzylbenzoate

C28H24O2 — CID 22352888

IUPACbenzyl 2,4-dibenzylbenzoate
SMILESO=C(OCc1ccccc1)c1ccc(Cc2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C28H24O2/c29-28(30-21-24-14-8-3-9-15-24)27-17-16-25(18-22-10-4-1-5-11-22)20-26(27)19-23-12-6-2-7-13-23/h1-17,20H,18-19,21H2
InChIKeyZSDYDLAYBAMAQL-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.23
Rot. Bonds7

About benzyl 2,4-dibenzylbenzoate

benzyl 2,4-dibenzylbenzoate (PubChem CID 22352888) has the molecular formula C28H24O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is benzyl 2,4-dibenzylbenzoate.

Molecular Properties

Compound Namebenzyl 2,4-dibenzylbenzoate
PubChem CID22352888
Molecular FormulaC28H24O2
Molecular Weight392.50 g/mol
Exact Mass392.18
IUPAC Namebenzyl 2,4-dibenzylbenzoate
SMILESO=C(OCc1ccccc1)c1ccc(Cc2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C28H24O2/c29-28(30-21-24-14-8-3-9-15-24)27-17-16-25(18-22-10-4-1-5-11-22)20-26(27)19-23-12-6-2-7-13-23/h1-17,20H,18-19,21H2
InChIKeyZSDYDLAYBAMAQL-UHFFFAOYSA-N
XLogP6.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dibenzylphenyl)ethanone
CID 70182248
[3,5-bis(bromomethyl)phenyl]methyl 2-benzylbenzoate
CID 102160109
dibenzyl 4-bromobenzene-1,2-dicarboxylate
CID 23134371
5-hydroxy-2-phenylmethoxycarbonylbenzoic acid
CID 70424833
(2-bromophenyl)methyl 2-benzylbenzoate
CID 7809558
2-phenylmethoxycarbonylterephthalic acid
CID 69248635
(2,4-diaminoquinazolin-6-yl)methyl 2-benzylbenzoate
CID 3008595
tribenzyl 5-aminobenzene-1,2,3-tricarboxylate
CID 166736546
benzyl 2,6-difluoropyridine-3-carboxylate
CID 20501992
benzyl 2,4-dimethylbenzoate;dihydrochloride
CID 156703415
2-benzyl-5-(hydroxymethyl)-3-phenylmethoxycarbonylbenzoic acid
CID 68999661
benzyl benzoate
CID 2345

Frequently Asked Questions

What is the IUPAC name of benzyl 2,4-dibenzylbenzoate?
The IUPAC name of benzyl 2,4-dibenzylbenzoate (CID 22352888) is benzyl 2,4-dibenzylbenzoate.
What is the SMILES notation for benzyl 2,4-dibenzylbenzoate?
The canonical SMILES for benzyl 2,4-dibenzylbenzoate is O=C(OCc1ccccc1)c1ccc(Cc2ccccc2)cc1Cc1ccccc1.
What is the InChIKey of benzyl 2,4-dibenzylbenzoate?
The InChIKey is ZSDYDLAYBAMAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O2/c29-28(30-21-24-14-8-3-9-15-24)27-17-16-25(18-22-10-4-1-5-11-22)20-26(27)19-23-12-6-2-7-13-23/h1-17,20H,18-19,21H2.
What are the key properties of benzyl 2,4-dibenzylbenzoate?
benzyl 2,4-dibenzylbenzoate has a molecular weight of 392.50 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,4-dibenzylbenzoate is sourced from PubChem (CID 22352888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).