ethyl 2-(4-phenylphenyl)acetate

C16H16O2 — CID 26436

IUPACethyl 2-(4-phenylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
InChIKeyNPPJLSILDPVHCM-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.46
Rot. Bonds4

About ethyl 2-(4-phenylphenyl)acetate

ethyl 2-(4-phenylphenyl)acetate (PubChem CID 26436) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-phenylphenyl)acetate
PubChem CID26436
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Nameethyl 2-(4-phenylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
InChIKeyNPPJLSILDPVHCM-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-phenylphenyl)acetate?
The IUPAC name of ethyl 2-(4-phenylphenyl)acetate (CID 26436) is ethyl 2-(4-phenylphenyl)acetate.
What is the SMILES notation for ethyl 2-(4-phenylphenyl)acetate?
The canonical SMILES for ethyl 2-(4-phenylphenyl)acetate is CCOC(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 2-(4-phenylphenyl)acetate?
The InChIKey is NPPJLSILDPVHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-(4-phenylphenyl)acetate?
ethyl 2-(4-phenylphenyl)acetate has a molecular weight of 240.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 26436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).