sodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate

C16H12FNaO4 — CID 139951715

IUPACsodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate
SMILESO=C([O-])CCc1ccc(C(=O)c2ccccc2O)c(F)c1.[Na+]
InChIInChI=1S/C16H13FO4.Na/c17-13-9-10(6-8-15(19)20)5-7-11(13)16(21)12-3-1-2-4-14(12)18;/h1-5,7,9,18H,6,8H2,(H,19,20);/q;+1/p-1
InChIKeyIFBGHXWELGPXRV-UHFFFAOYSA-M
MW310.26 g/mol
LogP-1.55
Rot. Bonds5

About sodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate

sodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate (PubChem CID 139951715) has the molecular formula C16H12FNaO4 and a molecular weight of 310.26 g/mol. Its IUPAC name is sodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate.

Molecular Properties

Compound Namesodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate
PubChem CID139951715
Molecular FormulaC16H12FNaO4
Molecular Weight310.26 g/mol
Exact Mass310.06
IUPAC Namesodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate
SMILESO=C([O-])CCc1ccc(C(=O)c2ccccc2O)c(F)c1.[Na+]
InChIInChI=1S/C16H13FO4.Na/c17-13-9-10(6-8-15(19)20)5-7-11(13)16(21)12-3-1-2-4-14(12)18;/h1-5,7,9,18H,6,8H2,(H,19,20);/q;+1/p-1
InChIKeyIFBGHXWELGPXRV-UHFFFAOYSA-M
XLogP-1.55
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate
CID 23700526
(2,4-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 11310853
disodium;bis(3-(4-phenylphenyl)propanoate);hydrate
CID 159268248
sodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate
CID 135624088
disodium;10-(2-hydroxyphenyl)-10-oxodecanoate;12-(2-hydroxyphenyl)-12-oxododecanoate;sulfane
CID 158243902
magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)
CID 154644614
(2,6-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 135044829
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301189
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
3-(3-chlorophenyl)propanoate
CID 6946708
potassium 2-[2,3-dichloro-4-(2-hydroxybenzoyl)phenoxy]acetate
CID 70599446
3-[4-(4-hydroxyphenyl)phenyl]propanoate
CID 6947121

Frequently Asked Questions

What is the IUPAC name of sodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate?
The IUPAC name of sodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate (CID 139951715) is sodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate.
What is the SMILES notation for sodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate?
The canonical SMILES for sodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate is O=C([O-])CCc1ccc(C(=O)c2ccccc2O)c(F)c1.[Na+].
What is the InChIKey of sodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate?
The InChIKey is IFBGHXWELGPXRV-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13FO4.Na/c17-13-9-10(6-8-15(19)20)5-7-11(13)16(21)12-3-1-2-4-14(12)18;/h1-5,7,9,18H,6,8H2,(H,19,20);/q;+1/p-1.
What are the key properties of sodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate?
sodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate has a molecular weight of 310.26 g/mol, XLogP of -1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate is sourced from PubChem (CID 139951715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).