(4-phenylphenyl) 4-methoxybenzoate

C20H16O3 — CID 922972

IUPAC(4-phenylphenyl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H16O3/c1-22-18-11-9-17(10-12-18)20(21)23-19-13-7-16(8-14-19)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyQXSYNKWEBROFDJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.58
Rot. Bonds4

About (4-phenylphenyl) 4-methoxybenzoate

(4-phenylphenyl) 4-methoxybenzoate (PubChem CID 922972) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (4-phenylphenyl) 4-methoxybenzoate.

Molecular Properties

Compound Name(4-phenylphenyl) 4-methoxybenzoate
PubChem CID922972
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name(4-phenylphenyl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H16O3/c1-22-18-11-9-17(10-12-18)20(21)23-19-13-7-16(8-14-19)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyQXSYNKWEBROFDJ-UHFFFAOYSA-N
XLogP4.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4-phenylphenyl) 4-methoxybenzoate?
The IUPAC name of (4-phenylphenyl) 4-methoxybenzoate (CID 922972) is (4-phenylphenyl) 4-methoxybenzoate.
What is the SMILES notation for (4-phenylphenyl) 4-methoxybenzoate?
The canonical SMILES for (4-phenylphenyl) 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (4-phenylphenyl) 4-methoxybenzoate?
The InChIKey is QXSYNKWEBROFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-22-18-11-9-17(10-12-18)20(21)23-19-13-7-16(8-14-19)15-5-3-2-4-6-15/h2-14H,1H3.
What are the key properties of (4-phenylphenyl) 4-methoxybenzoate?
(4-phenylphenyl) 4-methoxybenzoate has a molecular weight of 304.35 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) 4-methoxybenzoate is sourced from PubChem (CID 922972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).