ethyl 4-[(4-phenylphenyl)methoxy]benzoate

C22H20O3 — CID 44522630

IUPACethyl 4-[(4-phenylphenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O3/c1-2-24-22(23)20-12-14-21(15-13-20)25-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15H,2,16H2,1H3
InChIKeyHFZCRFZXUZWLKE-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.11
Rot. Bonds6

About ethyl 4-[(4-phenylphenyl)methoxy]benzoate

ethyl 4-[(4-phenylphenyl)methoxy]benzoate (PubChem CID 44522630) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 4-[(4-phenylphenyl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-phenylphenyl)methoxy]benzoate
PubChem CID44522630
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Nameethyl 4-[(4-phenylphenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O3/c1-2-24-22(23)20-12-14-21(15-13-20)25-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15H,2,16H2,1H3
InChIKeyHFZCRFZXUZWLKE-UHFFFAOYSA-N
XLogP5.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-phenylphenyl)methoxy]benzoate?
The IUPAC name of ethyl 4-[(4-phenylphenyl)methoxy]benzoate (CID 44522630) is ethyl 4-[(4-phenylphenyl)methoxy]benzoate.
What is the SMILES notation for ethyl 4-[(4-phenylphenyl)methoxy]benzoate?
The canonical SMILES for ethyl 4-[(4-phenylphenyl)methoxy]benzoate is CCOC(=O)c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of ethyl 4-[(4-phenylphenyl)methoxy]benzoate?
The InChIKey is HFZCRFZXUZWLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-2-24-22(23)20-12-14-21(15-13-20)25-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15H,2,16H2,1H3.
What are the key properties of ethyl 4-[(4-phenylphenyl)methoxy]benzoate?
ethyl 4-[(4-phenylphenyl)methoxy]benzoate has a molecular weight of 332.40 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-phenylphenyl)methoxy]benzoate is sourced from PubChem (CID 44522630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).