lithium 4-(4-benzylphenyl)-4-hydroxybutanoate

C17H17LiO3 — CID 25180687

IUPAClithium 4-(4-benzylphenyl)-4-hydroxybutanoate
SMILESO=C([O-])CCC(O)c1ccc(Cc2ccccc2)cc1.[Li+]
InChIInChI=1S/C17H18O3.Li/c18-16(10-11-17(19)20)15-8-6-14(7-9-15)12-13-4-2-1-3-5-13;/h1-9,16,18H,10-12H2,(H,19,20);/q;+1/p-1
InChIKeyUFBLGQYQBQSANO-UHFFFAOYSA-M
MW276.26 g/mol
LogP-1.16
Rot. Bonds6

About lithium 4-(4-benzylphenyl)-4-hydroxybutanoate

lithium 4-(4-benzylphenyl)-4-hydroxybutanoate (PubChem CID 25180687) has the molecular formula C17H17LiO3 and a molecular weight of 276.26 g/mol. Its IUPAC name is lithium 4-(4-benzylphenyl)-4-hydroxybutanoate.

Molecular Properties

Compound Namelithium 4-(4-benzylphenyl)-4-hydroxybutanoate
PubChem CID25180687
Molecular FormulaC17H17LiO3
Molecular Weight276.26 g/mol
Exact Mass276.13
IUPAC Namelithium 4-(4-benzylphenyl)-4-hydroxybutanoate
SMILESO=C([O-])CCC(O)c1ccc(Cc2ccccc2)cc1.[Li+]
InChIInChI=1S/C17H18O3.Li/c18-16(10-11-17(19)20)15-8-6-14(7-9-15)12-13-4-2-1-3-5-13;/h1-9,16,18H,10-12H2,(H,19,20);/q;+1/p-1
InChIKeyUFBLGQYQBQSANO-UHFFFAOYSA-M
XLogP-1.16
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4'-(1-Hydroxy-2-methylpropyl)phenyl)propionic acid
CID 45117195
Fenpyroximate M-15
CID 18334393
Fenazaquin metabolite NN2
CID 66588956
5-Biphenyl-4-yl-3-hydroxy-pentanoic acid
CID 11391583
4-(Hydroxymethyl)phenylacetic acid
CID 3283498
3-Hydroxy-3-phenylpropanoic acid
CID 92959
AH 13205
CID 5310998
7-[(1R,2S)-2-[4-(1-hydroxyhexyl)phenyl]-5-oxocyclopentyl]heptanoic acid
CID 132836
6-[3-(1-Hydroxyhexyl)phenyl]hexanoic acid
CID 10357005
(E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid
CID 21437915
(2S)-2-ethoxy-3-(4-(3-hydroxy-3-phenylpropyl)phenyl)propanoic acid
CID 25107241
3-[4-[2-[3-(Hydroxymethyl)phenyl]ethynyl]phenyl]propanoic acid
CID 25150117

Frequently Asked Questions

What is the IUPAC name of lithium 4-(4-benzylphenyl)-4-hydroxybutanoate?
The IUPAC name of lithium 4-(4-benzylphenyl)-4-hydroxybutanoate (CID 25180687) is lithium 4-(4-benzylphenyl)-4-hydroxybutanoate.
What is the SMILES notation for lithium 4-(4-benzylphenyl)-4-hydroxybutanoate?
The canonical SMILES for lithium 4-(4-benzylphenyl)-4-hydroxybutanoate is O=C([O-])CCC(O)c1ccc(Cc2ccccc2)cc1.[Li+].
What is the InChIKey of lithium 4-(4-benzylphenyl)-4-hydroxybutanoate?
The InChIKey is UFBLGQYQBQSANO-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18O3.Li/c18-16(10-11-17(19)20)15-8-6-14(7-9-15)12-13-4-2-1-3-5-13;/h1-9,16,18H,10-12H2,(H,19,20);/q;+1/p-1.
What are the key properties of lithium 4-(4-benzylphenyl)-4-hydroxybutanoate?
lithium 4-(4-benzylphenyl)-4-hydroxybutanoate has a molecular weight of 276.26 g/mol, XLogP of -1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-(4-benzylphenyl)-4-hydroxybutanoate is sourced from PubChem (CID 25180687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).