[4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate

C24H24O2 — CID 19171847

IUPAC[4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate
SMILESCc1ccc(-c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C24H24O2/c1-17-5-7-18(8-6-17)19-11-15-22(16-12-19)26-23(25)20-9-13-21(14-10-20)24(2,3)4/h5-16H,1-4H3
InChIKeyVIFXTIJQWFWJNG-UHFFFAOYSA-N
MW344.45 g/mol
LogP6.18
Rot. Bonds3

About [4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate

[4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate (PubChem CID 19171847) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is [4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate.

Molecular Properties

Compound Name[4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate
PubChem CID19171847
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name[4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate
SMILESCc1ccc(-c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C24H24O2/c1-17-5-7-18(8-6-17)19-11-15-22(16-12-19)26-23(25)20-9-13-21(14-10-20)24(2,3)4/h5-16H,1-4H3
InChIKeyVIFXTIJQWFWJNG-UHFFFAOYSA-N
XLogP6.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
(4-tert-butylphenyl) 4-tert-butylbenzoate;ethane
CID 157202631
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
[4-(4-methylphenyl)phenyl] 4-[2-(4-methylphenyl)-2-oxoacetyl]benzoate
CID 162123993
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
[4-(4-methoxycarbonylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 59024973
(4-tert-butylphenyl) 4-chlorobenzoate
CID 587391
(4-methylphenyl) 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 59193574
phenyl 4-tert-butylbenzoate
CID 733785
[4-[4-(3,5-ditert-butylbenzoyl)oxyphenyl]phenyl] 3,5-ditert-butylbenzoate
CID 3571413
[4-[2-(4-methylphenyl)propan-2-yl]phenyl] 4-[4-(2-phenylpropan-2-yl)benzoyl]benzoate
CID 20745872

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate?
The IUPAC name of [4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate (CID 19171847) is [4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate.
What is the SMILES notation for [4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate?
The canonical SMILES for [4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate is Cc1ccc(-c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1.
What is the InChIKey of [4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate?
The InChIKey is VIFXTIJQWFWJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2/c1-17-5-7-18(8-6-17)19-11-15-22(16-12-19)26-23(25)20-9-13-21(14-10-20)24(2,3)4/h5-16H,1-4H3.
What are the key properties of [4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate?
[4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate has a molecular weight of 344.45 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate is sourced from PubChem (CID 19171847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).