disodium bisphenol-A

C15H16Na2O2 — CID 66941220

IUPAC—
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.[Na].[Na]
InChIInChI=1S/C15H16O2.2Na/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;;/h3-10,16-17H,1-2H3;;
InChIKeyJJVKWFOGASBDAO-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.66
Rot. Bonds2

About disodium bisphenol-A

disodium bisphenol-A (PubChem CID 66941220) has the molecular formula C15H16Na2O2 and a molecular weight of 274.27 g/mol.

Molecular Properties

Compound Namedisodium bisphenol-A
PubChem CID66941220
Molecular FormulaC15H16Na2O2
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name—
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.[Na].[Na]
InChIInChI=1S/C15H16O2.2Na/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;;/h3-10,16-17H,1-2H3;;
InChIKeyJJVKWFOGASBDAO-UHFFFAOYSA-N
XLogP2.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173033429
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278
carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium
CID 20637487
benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 159326359
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771
dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 158726740
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;ethane
CID 91392325
biphenylene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 68577534

Frequently Asked Questions

What is the IUPAC name of disodium bisphenol-A?
The IUPAC name of disodium bisphenol-A (CID 66941220) is not available.
What is the SMILES notation for disodium bisphenol-A?
The canonical SMILES for disodium bisphenol-A is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.[Na].[Na].
What is the InChIKey of disodium bisphenol-A?
The InChIKey is JJVKWFOGASBDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.2Na/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;;/h3-10,16-17H,1-2H3;;.
What are the key properties of disodium bisphenol-A?
disodium bisphenol-A has a molecular weight of 274.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bisphenol-A is sourced from PubChem (CID 66941220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).