(4-methylphenyl) 4-methoxybenzoate

C15H14O3 — CID 12824316

IUPAC(4-methylphenyl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C15H14O3/c1-11-3-7-14(8-4-11)18-15(16)12-5-9-13(17-2)10-6-12/h3-10H,1-2H3
InChIKeyKVQXEDZGNQGJBS-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.22
Rot. Bonds3

About (4-methylphenyl) 4-methoxybenzoate

(4-methylphenyl) 4-methoxybenzoate (PubChem CID 12824316) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is (4-methylphenyl) 4-methoxybenzoate.

Molecular Properties

Compound Name(4-methylphenyl) 4-methoxybenzoate
PubChem CID12824316
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name(4-methylphenyl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C15H14O3/c1-11-3-7-14(8-4-11)18-15(16)12-5-9-13(17-2)10-6-12/h3-10H,1-2H3
InChIKeyKVQXEDZGNQGJBS-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.22
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-methylphenyl) 4-methoxybenzoate?
The IUPAC name of (4-methylphenyl) 4-methoxybenzoate (CID 12824316) is (4-methylphenyl) 4-methoxybenzoate.
What is the SMILES notation for (4-methylphenyl) 4-methoxybenzoate?
The canonical SMILES for (4-methylphenyl) 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(C)cc2)cc1.
What is the InChIKey of (4-methylphenyl) 4-methoxybenzoate?
The InChIKey is KVQXEDZGNQGJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-11-3-7-14(8-4-11)18-15(16)12-5-9-13(17-2)10-6-12/h3-10H,1-2H3.
What are the key properties of (4-methylphenyl) 4-methoxybenzoate?
(4-methylphenyl) 4-methoxybenzoate has a molecular weight of 242.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 4-methoxybenzoate is sourced from PubChem (CID 12824316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).