sodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate

C19H13NaO2 — CID 67392194

IUPACsodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate
SMILESO=C([O-])c1ccc(/C=C/c2ccc3ccccc3c2)cc1.[Na+]
InChIInChI=1S/C19H14O2.Na/c20-19(21)17-11-7-14(8-12-17)5-6-15-9-10-16-3-1-2-4-18(16)13-15;/h1-13H,(H,20,21);/q;+1/p-1/b6-5+;
InChIKeyWUIJPGSFBAAHAM-IPZCTEOASA-M
MW296.30 g/mol
LogP0.38
Rot. Bonds3

About sodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate

sodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate (PubChem CID 67392194) has the molecular formula C19H13NaO2 and a molecular weight of 296.30 g/mol. Its IUPAC name is sodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate.

Molecular Properties

Compound Namesodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate
PubChem CID67392194
Molecular FormulaC19H13NaO2
Molecular Weight296.30 g/mol
Exact Mass296.08
IUPAC Namesodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate
SMILESO=C([O-])c1ccc(/C=C/c2ccc3ccccc3c2)cc1.[Na+]
InChIInChI=1S/C19H14O2.Na/c20-19(21)17-11-7-14(8-12-17)5-6-15-9-10-16-3-1-2-4-18(16)13-15;/h1-13H,(H,20,21);/q;+1/p-1/b6-5+;
InChIKeyWUIJPGSFBAAHAM-IPZCTEOASA-M
XLogP0.38
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

disodium;4-[2-(4-carboxylatophenyl)ethenyl]benzoate
CID 76562419
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
potassium naphthalene-2-carboxylate
CID 23664129
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
CID 76589902
tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane
CID 58942119
(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
anthracene-2-carboxylate
CID 11160355
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
1,7-dinaphthalen-2-ylhepta-1,6-diene-3,5-dione
CID 86098447

Frequently Asked Questions

What is the IUPAC name of sodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate?
The IUPAC name of sodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate (CID 67392194) is sodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate.
What is the SMILES notation for sodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate?
The canonical SMILES for sodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate is O=C([O-])c1ccc(/C=C/c2ccc3ccccc3c2)cc1.[Na+].
What is the InChIKey of sodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate?
The InChIKey is WUIJPGSFBAAHAM-IPZCTEOASA-M. The full InChI is InChI=1S/C19H14O2.Na/c20-19(21)17-11-7-14(8-12-17)5-6-15-9-10-16-3-1-2-4-18(16)13-15;/h1-13H,(H,20,21);/q;+1/p-1/b6-5+;.
What are the key properties of sodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate?
sodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate has a molecular weight of 296.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-[(E)-2-naphthalen-2-ylethenyl]benzoate is sourced from PubChem (CID 67392194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).