(2,4-diphenylphenyl) acetate

C20H16O2 — CID 57057849

IUPAC(2,4-diphenylphenyl) acetate
SMILESCC(=O)Oc1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C20H16O2/c1-15(21)22-20-13-12-18(16-8-4-2-5-9-16)14-19(20)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyGHKQRKMTZDZWKW-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.95
Rot. Bonds3

About (2,4-diphenylphenyl) acetate

(2,4-diphenylphenyl) acetate (PubChem CID 57057849) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2,4-diphenylphenyl) acetate.

Molecular Properties

Compound Name(2,4-diphenylphenyl) acetate
PubChem CID57057849
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name(2,4-diphenylphenyl) acetate
SMILESCC(=O)Oc1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C20H16O2/c1-15(21)22-20-13-12-18(16-8-4-2-5-9-16)14-19(20)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyGHKQRKMTZDZWKW-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.95
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 (2,4-diphenylphenyl) acetate?
The IUPAC name of (2,4-diphenylphenyl) acetate (CID 57057849) is (2,4-diphenylphenyl) acetate.
What is the SMILES notation for (2,4-diphenylphenyl) acetate?
The canonical SMILES for (2,4-diphenylphenyl) acetate is CC(=O)Oc1ccc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of (2,4-diphenylphenyl) acetate?
The InChIKey is GHKQRKMTZDZWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c1-15(21)22-20-13-12-18(16-8-4-2-5-9-16)14-19(20)17-10-6-3-7-11-17/h2-14H,1H3.
What are the key properties of (2,4-diphenylphenyl) acetate?
(2,4-diphenylphenyl) acetate has a molecular weight of 288.35 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diphenylphenyl) acetate is sourced from PubChem (CID 57057849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).