(4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate

C24H24O3 — CID 145451128

IUPAC(4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate
SMILESCCC(C)(C)Oc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24O3/c1-4-24(2,3)27-22-16-12-20(13-17-22)23(25)26-21-14-10-19(11-15-21)18-8-6-5-7-9-18/h5-17H,4H2,1-3H3
InChIKeyZOINZCAGEKJALE-UHFFFAOYSA-N
MW360.45 g/mol
LogP6.14
Rot. Bonds6

About (4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate

(4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate (PubChem CID 145451128) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is (4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate.

Molecular Properties

Compound Name(4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate
PubChem CID145451128
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name(4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate
SMILESCCC(C)(C)Oc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24O3/c1-4-24(2,3)27-22-16-12-20(13-17-22)23(25)26-21-14-10-19(11-15-21)18-8-6-5-7-9-18/h5-17H,4H2,1-3H3
InChIKeyZOINZCAGEKJALE-UHFFFAOYSA-N
XLogP6.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylphenyl) 4-(trifluoromethoxy)benzoate
CID 7926515
methyl 4-(2-methylbutan-2-yloxy)benzoate
CID 71046237
(4-phenylphenyl) 4-nonoxybenzoate
CID 71386628
[4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate
CID 17160391
phenyl 4-(2-methylbutan-2-yl)benzoate
CID 67160736
bis[4-(4-phenylphenoxy)carbonylphenyl] undecanedioate
CID 100930737
(4-phenylmethoxycarbonylphenyl) 4-phenylbenzoate
CID 19181931
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
phenyl 4-(4-undecoxyphenyl)benzoate
CID 23178776
phenyl 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 68524918
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxyphenyl] 4-ethoxybenzoate
CID 170254641
phenyl 4-tert-butylbenzoate
CID 733785

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate?
The IUPAC name of (4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate (CID 145451128) is (4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate.
What is the SMILES notation for (4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate?
The canonical SMILES for (4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate is CCC(C)(C)Oc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate?
The InChIKey is ZOINZCAGEKJALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-4-24(2,3)27-22-16-12-20(13-17-22)23(25)26-21-14-10-19(11-15-21)18-8-6-5-7-9-18/h5-17H,4H2,1-3H3.
What are the key properties of (4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate?
(4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate has a molecular weight of 360.45 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate is sourced from PubChem (CID 145451128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).