(3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate

C30H26O4 — CID 23126014

IUPAC(3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate
SMILESCC(C(OC(=O)c1ccccc1)c1ccccc1)C(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H26O4/c1-22(27(23-14-6-2-7-15-23)33-29(31)25-18-10-4-11-19-25)28(24-16-8-3-9-17-24)34-30(32)26-20-12-5-13-21-26/h2-22,27-28H,1H3
InChIKeyRADSCMDYZCNDHQ-UHFFFAOYSA-N
MW450.53 g/mol
LogP6.82
Rot. Bonds8

About (3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate

(3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate (PubChem CID 23126014) has the molecular formula C30H26O4 and a molecular weight of 450.53 g/mol. Its IUPAC name is (3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate.

Molecular Properties

Compound Name(3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate
PubChem CID23126014
Molecular FormulaC30H26O4
Molecular Weight450.53 g/mol
Exact Mass450.18
IUPAC Name(3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate
SMILESCC(C(OC(=O)c1ccccc1)c1ccccc1)C(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H26O4/c1-22(27(23-14-6-2-7-15-23)33-29(31)25-18-10-4-11-19-25)28(24-16-8-3-9-17-24)34-30(32)26-20-12-5-13-21-26/h2-22,27-28H,1H3
InChIKeyRADSCMDYZCNDHQ-UHFFFAOYSA-N
XLogP6.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,2R)-2-amino-1-phenylpropyl] benzoate
CID 99718446
(2-methyl-3-oxo-1-phenylpropyl) benzoate
CID 122223711
[(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate
CID 162818343
1-phenylethyl benzoate
CID 174857426
(2-cyano-2-hydroxy-1-phenylethyl) benzoate
CID 135043818
[(1R,2R)-2-chloro-3-methoxy-3-oxo-1-phenylpropyl] benzoate
CID 100965071
[(1S,2S)-2-(1,3-dioxoisoindol-2-yl)-1-phenylpropyl] benzoate
CID 10981904
[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl] benzoate
CID 154721488
[hydroxy(phenyl)methyl] benzoate
CID 22715526
[(1R)-3-methyl-1-phenylbutyl] benzoate
CID 15503412
[(1S,2R)-2-(methylamino)-1-phenylpropyl] 4-tert-butylbenzoate
CID 89434559
[(1S)-1-phenylethyl] 4-[4-[4-[(1S)-1-phenylethoxy]carbonylphenyl]phenyl]benzoate
CID 67736899

Frequently Asked Questions

What is the IUPAC name of (3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate?
The IUPAC name of (3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate (CID 23126014) is (3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate.
What is the SMILES notation for (3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate?
The canonical SMILES for (3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate is CC(C(OC(=O)c1ccccc1)c1ccccc1)C(OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate?
The InChIKey is RADSCMDYZCNDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O4/c1-22(27(23-14-6-2-7-15-23)33-29(31)25-18-10-4-11-19-25)28(24-16-8-3-9-17-24)34-30(32)26-20-12-5-13-21-26/h2-22,27-28H,1H3.
What are the key properties of (3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate?
(3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate has a molecular weight of 450.53 g/mol, XLogP of 6.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate is sourced from PubChem (CID 23126014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).