ethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate

C24H24O3 — CID 91197703

IUPACethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate
SMILESCCOC(=O)CC(C)Oc1ccccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C24H24O3/c1-3-26-24(25)17-18(2)27-23-16-10-9-15-22(23)21-14-8-7-13-20(21)19-11-5-4-6-12-19/h4-16,18H,3,17H2,1-2H3
InChIKeyCBIRQLZEYYLYFC-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.74
Rot. Bonds7

About ethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate

ethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate (PubChem CID 91197703) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is ethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate
PubChem CID91197703
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Nameethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate
SMILESCCOC(=O)CC(C)Oc1ccccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C24H24O3/c1-3-26-24(25)17-18(2)27-23-16-10-9-15-22(23)21-14-8-7-13-20(21)19-11-5-4-6-12-19/h4-16,18H,3,17H2,1-2H3
InChIKeyCBIRQLZEYYLYFC-UHFFFAOYSA-N
XLogP5.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate?
The IUPAC name of ethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate (CID 91197703) is ethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate.
What is the SMILES notation for ethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate?
The canonical SMILES for ethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate is CCOC(=O)CC(C)Oc1ccccc1-c1ccccc1-c1ccccc1.
What is the InChIKey of ethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate?
The InChIKey is CBIRQLZEYYLYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-3-26-24(25)17-18(2)27-23-16-10-9-15-22(23)21-14-8-7-13-20(21)19-11-5-4-6-12-19/h4-16,18H,3,17H2,1-2H3.
What are the key properties of ethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate?
ethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate has a molecular weight of 360.45 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate is sourced from PubChem (CID 91197703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).