methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate

C21H24O3 — CID 71377628

IUPACmethyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)c2cc(C(C)C)ccc2C(C)C)cc1
InChIInChI=1S/C21H24O3/c1-13(2)17-10-11-18(14(3)4)19(12-17)20(22)15-6-8-16(9-7-15)21(23)24-5/h6-14H,1-5H3
InChIKeyUMZNVMXMENTGAQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.95
Rot. Bonds5

About methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate

methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate (PubChem CID 71377628) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate
PubChem CID71377628
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Namemethyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)c2cc(C(C)C)ccc2C(C)C)cc1
InChIInChI=1S/C21H24O3/c1-13(2)17-10-11-18(14(3)4)19(12-17)20(22)15-6-8-16(9-7-15)21(23)24-5/h6-14H,1-5H3
InChIKeyUMZNVMXMENTGAQ-UHFFFAOYSA-N
XLogP4.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2,5-di(propan-2-yl)phenyl]-phenylmethanone
CID 165349442
(4-methoxycarbonylphenyl) 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 12825841
2,5-di(propan-2-yl)benzoyl fluoride
CID 45081927
[2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone
CID 63492494
methyl 4-[2-methyl-4-(2-methylpropoxy)-5-propan-2-ylbenzoyl]benzoate
CID 154656104
methyl 4-[1-(4-aminophenyl)ethyl]benzoate
CID 175023577
methyl 3-acetamido-4-propan-2-ylbenzoate
CID 100666592
methyl 4-[(1S,2S)-1,2-bis(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(4-methoxycarbonylphenyl)ethyl]benzoate
CID 102352771
methanol;methyl 4-[(1S)-1-aminoethyl]benzoate
CID 143623617
methyl 4-iodo-3-propan-2-ylbenzoate
CID 134691911
(5-methyl-2-propan-2-ylphenyl)-phenylmethanone
CID 617254
methyl 4-(2-methoxybenzoyl)benzoate
CID 22408243

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate?
The IUPAC name of methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate (CID 71377628) is methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate.
What is the SMILES notation for methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate?
The canonical SMILES for methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate is COC(=O)c1ccc(C(=O)c2cc(C(C)C)ccc2C(C)C)cc1.
What is the InChIKey of methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate?
The InChIKey is UMZNVMXMENTGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c1-13(2)17-10-11-18(14(3)4)19(12-17)20(22)15-6-8-16(9-7-15)21(23)24-5/h6-14H,1-5H3.
What are the key properties of methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate?
methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate has a molecular weight of 324.42 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate is sourced from PubChem (CID 71377628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).