sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-carboxylate

C19H14ClNaO4 — CID 23667788

IUPACsodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-carboxylate
SMILESO=C([O-])c1ccc(Cc2cc(Cl)ccc2OCc2ccccc2)o1.[Na+]
InChIInChI=1S/C19H15ClO4.Na/c20-15-6-8-17(23-12-13-4-2-1-3-5-13)14(10-15)11-16-7-9-18(24-16)19(21)22;/h1-10H,11-12H2,(H,21,22);/q;+1/p-1
InChIKeyCXXYYIHGGMZUAL-UHFFFAOYSA-M
MW364.76 g/mol
LogP0.47
Rot. Bonds6

About sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-carboxylate

sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-carboxylate (PubChem CID 23667788) has the molecular formula C19H14ClNaO4 and a molecular weight of 364.76 g/mol. Its IUPAC name is sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namesodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-carboxylate
PubChem CID23667788
Molecular FormulaC19H14ClNaO4
Molecular Weight364.76 g/mol
Exact Mass364.05
IUPAC Namesodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-carboxylate
SMILESO=C([O-])c1ccc(Cc2cc(Cl)ccc2OCc2ccccc2)o1.[Na+]
InChIInChI=1S/C19H15ClO4.Na/c20-15-6-8-17(23-12-13-4-2-1-3-5-13)14(10-15)11-16-7-9-18(24-16)19(21)22;/h1-10H,11-12H2,(H,21,22);/q;+1/p-1
InChIKeyCXXYYIHGGMZUAL-UHFFFAOYSA-M
XLogP0.47
TPSA62.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-carboxylate?
The IUPAC name of sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-carboxylate (CID 23667788) is sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-carboxylate.
What is the SMILES notation for sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-carboxylate?
The canonical SMILES for sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-carboxylate is O=C([O-])c1ccc(Cc2cc(Cl)ccc2OCc2ccccc2)o1.[Na+].
What is the InChIKey of sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-carboxylate?
The InChIKey is CXXYYIHGGMZUAL-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15ClO4.Na/c20-15-6-8-17(23-12-13-4-2-1-3-5-13)14(10-15)11-16-7-9-18(24-16)19(21)22;/h1-10H,11-12H2,(H,21,22);/q;+1/p-1.
What are the key properties of sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-carboxylate?
sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-carboxylate has a molecular weight of 364.76 g/mol, XLogP of 0.47, 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-phenylmethoxyphenyl)methyl]furan-2-carboxylate is sourced from PubChem (CID 23667788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).