lithium 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanoate

C17H16FLiO4 — CID 25178163

IUPAClithium 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanoate
SMILESO=C([O-])CCC(O)c1ccc(OCc2cccc(F)c2)cc1.[Li+]
InChIInChI=1S/C17H17FO4.Li/c18-14-3-1-2-12(10-14)11-22-15-6-4-13(5-7-15)16(19)8-9-17(20)21;/h1-7,10,16,19H,8-9,11H2,(H,20,21);/q;+1/p-1
InChIKeySOLVXZWJMZVNEB-UHFFFAOYSA-M
MW310.25 g/mol
LogP-1.03
Rot. Bonds7

About lithium 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanoate

lithium 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanoate (PubChem CID 25178163) has the molecular formula C17H16FLiO4 and a molecular weight of 310.25 g/mol. Its IUPAC name is lithium 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanoate.

Molecular Properties

Compound Namelithium 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanoate
PubChem CID25178163
Molecular FormulaC17H16FLiO4
Molecular Weight310.25 g/mol
Exact Mass310.12
IUPAC Namelithium 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanoate
SMILESO=C([O-])CCC(O)c1ccc(OCc2cccc(F)c2)cc1.[Li+]
InChIInChI=1S/C17H17FO4.Li/c18-14-3-1-2-12(10-14)11-22-15-6-4-13(5-7-15)16(19)8-9-17(20)21;/h1-7,10,16,19H,8-9,11H2,(H,20,21);/q;+1/p-1
InChIKeySOLVXZWJMZVNEB-UHFFFAOYSA-M
XLogP-1.03
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 7599
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4-Benzyloxyphenylacetic acid
CID 81033
2-(2-(2-Fluorophenoxy)phenyl)acetic acid
CID 13409348
3-[4-(2-Ethylbutoxy)phenyl]-3-phenylpropanoic acid
CID 16738034
3-[4-(2-Methylbutoxy)phenyl]-3-phenylpropanoic acid
CID 16747701
8-(Biphenyl-4-yloxy)-2-oxo-octanoic acid
CID 44341224
3-(4-Phenoxyphenyl)propanoic acid
CID 22036572
3-[4-(3-Methoxypropoxy)phenyl]-3-phenylpropanoic acid
CID 16735096
3-{4-[(3-Methylbut-3-en-1-yl)oxy]phenyl}-3-phenylpropanoic acid
CID 16735109
3-[4-(3-Methylbutoxy)phenyl]-3-phenylpropanoic acid
CID 16735364

Frequently Asked Questions

What is the IUPAC name of lithium 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanoate?
The IUPAC name of lithium 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanoate (CID 25178163) is lithium 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanoate.
What is the SMILES notation for lithium 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanoate?
The canonical SMILES for lithium 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanoate is O=C([O-])CCC(O)c1ccc(OCc2cccc(F)c2)cc1.[Li+].
What is the InChIKey of lithium 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanoate?
The InChIKey is SOLVXZWJMZVNEB-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H17FO4.Li/c18-14-3-1-2-12(10-14)11-22-15-6-4-13(5-7-15)16(19)8-9-17(20)21;/h1-7,10,16,19H,8-9,11H2,(H,20,21);/q;+1/p-1.
What are the key properties of lithium 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanoate?
lithium 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanoate has a molecular weight of 310.25 g/mol, XLogP of -1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanoate is sourced from PubChem (CID 25178163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).