(5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)acetate

C24H24O2 — CID 70693221

IUPAC(5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)acetate
SMILESCc1ccc(C(C)C)c(OC(=O)Cc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H24O2/c1-17(2)22-14-9-18(3)15-23(22)26-24(25)16-19-10-12-21(13-11-19)20-7-5-4-6-8-20/h4-15,17H,16H2,1-3H3
InChIKeyUVKAFUXESPFILP-UHFFFAOYSA-N
MW344.45 g/mol
LogP5.93
Rot. Bonds5

About (5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)acetate

(5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)acetate (PubChem CID 70693221) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)acetate
PubChem CID70693221
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name(5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)acetate
SMILESCc1ccc(C(C)C)c(OC(=O)Cc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H24O2/c1-17(2)22-14-9-18(3)15-23(22)26-24(25)16-19-10-12-21(13-11-19)20-7-5-4-6-8-20/h4-15,17H,16H2,1-3H3
InChIKeyUVKAFUXESPFILP-UHFFFAOYSA-N
XLogP5.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)acetate?
The IUPAC name of (5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)acetate (CID 70693221) is (5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)acetate.
What is the SMILES notation for (5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)acetate?
The canonical SMILES for (5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)acetate is Cc1ccc(C(C)C)c(OC(=O)Cc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of (5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)acetate?
The InChIKey is UVKAFUXESPFILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2/c1-17(2)22-14-9-18(3)15-23(22)26-24(25)16-19-10-12-21(13-11-19)20-7-5-4-6-8-20/h4-15,17H,16H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)acetate?
(5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)acetate has a molecular weight of 344.45 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 70693221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).