disodium;4-phenylphthalate

C14H8Na2O4 — CID 134868344

IUPACdisodium;4-phenylphthalate
SMILESO=C([O-])c1ccc(-c2ccccc2)cc1C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C14H10O4.2Na/c15-13(16)11-7-6-10(8-12(11)14(17)18)9-4-2-1-3-5-9;;/h1-8H,(H,15,16)(H,17,18);;/q;2*+1/p-2
InChIKeyDSYLLBKSPFVOQJ-UHFFFAOYSA-L
MW286.19 g/mol
LogP-5.91
Rot. Bonds3

About disodium;4-phenylphthalate

disodium;4-phenylphthalate (PubChem CID 134868344) has the molecular formula C14H8Na2O4 and a molecular weight of 286.19 g/mol. Its IUPAC name is disodium;4-phenylphthalate.

Molecular Properties

Compound Namedisodium;4-phenylphthalate
PubChem CID134868344
Molecular FormulaC14H8Na2O4
Molecular Weight286.19 g/mol
Exact Mass286.02
IUPAC Namedisodium;4-phenylphthalate
SMILESO=C([O-])c1ccc(-c2ccccc2)cc1C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C14H10O4.2Na/c15-13(16)11-7-6-10(8-12(11)14(17)18)9-4-2-1-3-5-9;;/h1-8H,(H,15,16)(H,17,18);;/q;2*+1/p-2
InChIKeyDSYLLBKSPFVOQJ-UHFFFAOYSA-L
XLogP-5.91
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 5-5.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of disodium;4-phenylphthalate?
The IUPAC name of disodium;4-phenylphthalate (CID 134868344) is disodium;4-phenylphthalate.
What is the SMILES notation for disodium;4-phenylphthalate?
The canonical SMILES for disodium;4-phenylphthalate is O=C([O-])c1ccc(-c2ccccc2)cc1C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;4-phenylphthalate?
The InChIKey is DSYLLBKSPFVOQJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H10O4.2Na/c15-13(16)11-7-6-10(8-12(11)14(17)18)9-4-2-1-3-5-9;;/h1-8H,(H,15,16)(H,17,18);;/q;2*+1/p-2.
What are the key properties of disodium;4-phenylphthalate?
disodium;4-phenylphthalate has a molecular weight of 286.19 g/mol, XLogP of -5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4-phenylphthalate is sourced from PubChem (CID 134868344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).