sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate

C19H13ClFNaO4 — CID 23667794

IUPACsodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
SMILESO=C([O-])c1ccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2)o1.[Na+]
InChIInChI=1S/C19H14ClFO4.Na/c20-14-3-7-17(24-11-12-1-4-15(21)5-2-12)13(9-14)10-16-6-8-18(25-16)19(22)23;/h1-9H,10-11H2,(H,22,23);/q;+1/p-1
InChIKeyOERXUCZBVRDUIU-UHFFFAOYSA-M
MW382.75 g/mol
LogP0.61
Rot. Bonds6

About sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate

sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate (PubChem CID 23667794) has the molecular formula C19H13ClFNaO4 and a molecular weight of 382.75 g/mol. Its IUPAC name is sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namesodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
PubChem CID23667794
Molecular FormulaC19H13ClFNaO4
Molecular Weight382.75 g/mol
Exact Mass382.04
IUPAC Namesodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
SMILESO=C([O-])c1ccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2)o1.[Na+]
InChIInChI=1S/C19H14ClFO4.Na/c20-14-3-7-17(24-11-12-1-4-15(21)5-2-12)13(9-14)10-16-6-8-18(25-16)19(22)23;/h1-9H,10-11H2,(H,22,23);/q;+1/p-1
InChIKeyOERXUCZBVRDUIU-UHFFFAOYSA-M
XLogP0.61
TPSA62.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.75
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 5-[[5-chloro-2-[(3,4,5-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 23667798
5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 59845812
methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 143316139
5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 15605179
4-[[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate
CID 27110005
ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 59384265
5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid
CID 15604735
5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide
CID 15605379
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
N-tert-butyl-5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
CID 15605115
5-[(4-chlorophenoxy)methyl]furan-2-carboxylate
CID 4740544
sodium 5-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]pyridine-3-carboxylate
CID 23686962

Frequently Asked Questions

What is the IUPAC name of sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate?
The IUPAC name of sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate (CID 23667794) is sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate.
What is the SMILES notation for sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate?
The canonical SMILES for sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate is O=C([O-])c1ccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2)o1.[Na+].
What is the InChIKey of sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate?
The InChIKey is OERXUCZBVRDUIU-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H14ClFO4.Na/c20-14-3-7-17(24-11-12-1-4-15(21)5-2-12)13(9-14)10-16-6-8-18(25-16)19(22)23;/h1-9H,10-11H2,(H,22,23);/q;+1/p-1.
What are the key properties of sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate?
sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate has a molecular weight of 382.75 g/mol, XLogP of 0.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate is sourced from PubChem (CID 23667794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).