lithium 4-(4-bromophenyl)-4-hydroxybutanoate

C10H10BrLiO3 — CID 25180689

IUPAClithium 4-(4-bromophenyl)-4-hydroxybutanoate
SMILESO=C([O-])CCC(O)c1ccc(Br)cc1.[Li+]
InChIInChI=1S/C10H11BrO3.Li/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14;/h1-4,9,12H,5-6H2,(H,13,14);/q;+1/p-1
InChIKeyGACAQPCZKFAQIT-UHFFFAOYSA-M
MW265.03 g/mol
LogP-1.98
Rot. Bonds4

About lithium 4-(4-bromophenyl)-4-hydroxybutanoate

lithium 4-(4-bromophenyl)-4-hydroxybutanoate (PubChem CID 25180689) has the molecular formula C10H10BrLiO3 and a molecular weight of 265.03 g/mol. Its IUPAC name is lithium 4-(4-bromophenyl)-4-hydroxybutanoate.

Molecular Properties

Compound Namelithium 4-(4-bromophenyl)-4-hydroxybutanoate
PubChem CID25180689
Molecular FormulaC10H10BrLiO3
Molecular Weight265.03 g/mol
Exact Mass264.00
IUPAC Namelithium 4-(4-bromophenyl)-4-hydroxybutanoate
SMILESO=C([O-])CCC(O)c1ccc(Br)cc1.[Li+]
InChIInChI=1S/C10H11BrO3.Li/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14;/h1-4,9,12H,5-6H2,(H,13,14);/q;+1/p-1
InChIKeyGACAQPCZKFAQIT-UHFFFAOYSA-M
XLogP-1.98
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.03
LogP ≤ 5-1.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium 4-(4-bromophenyl)-4-hydroxybutanoate?
The IUPAC name of lithium 4-(4-bromophenyl)-4-hydroxybutanoate (CID 25180689) is lithium 4-(4-bromophenyl)-4-hydroxybutanoate.
What is the SMILES notation for lithium 4-(4-bromophenyl)-4-hydroxybutanoate?
The canonical SMILES for lithium 4-(4-bromophenyl)-4-hydroxybutanoate is O=C([O-])CCC(O)c1ccc(Br)cc1.[Li+].
What is the InChIKey of lithium 4-(4-bromophenyl)-4-hydroxybutanoate?
The InChIKey is GACAQPCZKFAQIT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11BrO3.Li/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14;/h1-4,9,12H,5-6H2,(H,13,14);/q;+1/p-1.
What are the key properties of lithium 4-(4-bromophenyl)-4-hydroxybutanoate?
lithium 4-(4-bromophenyl)-4-hydroxybutanoate has a molecular weight of 265.03 g/mol, XLogP of -1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-(4-bromophenyl)-4-hydroxybutanoate is sourced from PubChem (CID 25180689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).