lithium 4-hydroxy-4-(4-phenylphenyl)butanoate

C16H15LiO3 — CID 25178170

IUPAClithium 4-hydroxy-4-(4-phenylphenyl)butanoate
SMILESO=C([O-])CCC(O)c1ccc(-c2ccccc2)cc1.[Li+]
InChIInChI=1S/C16H16O3.Li/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12;/h1-9,15,17H,10-11H2,(H,18,19);/q;+1/p-1
InChIKeyWENMOOCDXDPWEW-UHFFFAOYSA-M
MW262.23 g/mol
LogP-1.08
Rot. Bonds5

About lithium 4-hydroxy-4-(4-phenylphenyl)butanoate

lithium 4-hydroxy-4-(4-phenylphenyl)butanoate (PubChem CID 25178170) has the molecular formula C16H15LiO3 and a molecular weight of 262.23 g/mol. Its IUPAC name is lithium 4-hydroxy-4-(4-phenylphenyl)butanoate.

Molecular Properties

Compound Namelithium 4-hydroxy-4-(4-phenylphenyl)butanoate
PubChem CID25178170
Molecular FormulaC16H15LiO3
Molecular Weight262.23 g/mol
Exact Mass262.12
IUPAC Namelithium 4-hydroxy-4-(4-phenylphenyl)butanoate
SMILESO=C([O-])CCC(O)c1ccc(-c2ccccc2)cc1.[Li+]
InChIInChI=1S/C16H16O3.Li/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12;/h1-9,15,17H,10-11H2,(H,18,19);/q;+1/p-1
InChIKeyWENMOOCDXDPWEW-UHFFFAOYSA-M
XLogP-1.08
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium 4-hydroxy-4-(4-phenylphenyl)butanoate?
The IUPAC name of lithium 4-hydroxy-4-(4-phenylphenyl)butanoate (CID 25178170) is lithium 4-hydroxy-4-(4-phenylphenyl)butanoate.
What is the SMILES notation for lithium 4-hydroxy-4-(4-phenylphenyl)butanoate?
The canonical SMILES for lithium 4-hydroxy-4-(4-phenylphenyl)butanoate is O=C([O-])CCC(O)c1ccc(-c2ccccc2)cc1.[Li+].
What is the InChIKey of lithium 4-hydroxy-4-(4-phenylphenyl)butanoate?
The InChIKey is WENMOOCDXDPWEW-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16O3.Li/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12;/h1-9,15,17H,10-11H2,(H,18,19);/q;+1/p-1.
What are the key properties of lithium 4-hydroxy-4-(4-phenylphenyl)butanoate?
lithium 4-hydroxy-4-(4-phenylphenyl)butanoate has a molecular weight of 262.23 g/mol, XLogP of -1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-hydroxy-4-(4-phenylphenyl)butanoate is sourced from PubChem (CID 25178170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).