dilithium;3-phenylphthalate

C14H8Li2O4 — CID 130387255

IUPACdilithium;3-phenylphthalate
SMILESO=C([O-])c1cccc(-c2ccccc2)c1C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C14H10O4.2Li/c15-13(16)11-8-4-7-10(12(11)14(17)18)9-5-2-1-3-6-9;;/h1-8H,(H,15,16)(H,17,18);;/q;2*+1/p-2
InChIKeyAXIVXJVPJFMKNR-UHFFFAOYSA-L
MW254.10 g/mol
LogP-5.91
Rot. Bonds3

About dilithium;3-phenylphthalate

dilithium;3-phenylphthalate (PubChem CID 130387255) has the molecular formula C14H8Li2O4 and a molecular weight of 254.10 g/mol. Its IUPAC name is dilithium;3-phenylphthalate.

Molecular Properties

Compound Namedilithium;3-phenylphthalate
PubChem CID130387255
Molecular FormulaC14H8Li2O4
Molecular Weight254.10 g/mol
Exact Mass254.07
IUPAC Namedilithium;3-phenylphthalate
SMILESO=C([O-])c1cccc(-c2ccccc2)c1C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C14H10O4.2Li/c15-13(16)11-8-4-7-10(12(11)14(17)18)9-5-2-1-3-6-9;;/h1-8H,(H,15,16)(H,17,18);;/q;2*+1/p-2
InChIKeyAXIVXJVPJFMKNR-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 ≤ 500254.10
LogP ≤ 5-5.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

barium(2+);3-phenylphthalate
CID 141391844
trimagnesium bis(benzene-1,2,3-tricarboxylate)
CID 67068179
3-phenylphthalic acid;dihydrobromide
CID 67683459
disodium;4,5-diphenylphthalate
CID 134868371
azulene-1,3-dicarboxylate
CID 140764257
3-phenyl-2-sulfanylcarbonylbenzoic acid
CID 88677221
2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone
CID 173305848
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
2-benzoyl-6-phenylbenzoic acid
CID 174388121
lithium 2-carboxybenzoate
CID 67386197
2-carboxybenzoate;thallium(1+)
CID 101403196
sodium 2,3-dicarboxybenzoate
CID 166682302

Frequently Asked Questions

What is the IUPAC name of dilithium;3-phenylphthalate?
The IUPAC name of dilithium;3-phenylphthalate (CID 130387255) is dilithium;3-phenylphthalate.
What is the SMILES notation for dilithium;3-phenylphthalate?
The canonical SMILES for dilithium;3-phenylphthalate is O=C([O-])c1cccc(-c2ccccc2)c1C(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;3-phenylphthalate?
The InChIKey is AXIVXJVPJFMKNR-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H10O4.2Li/c15-13(16)11-8-4-7-10(12(11)14(17)18)9-5-2-1-3-6-9;;/h1-8H,(H,15,16)(H,17,18);;/q;2*+1/p-2.
What are the key properties of dilithium;3-phenylphthalate?
dilithium;3-phenylphthalate has a molecular weight of 254.10 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 dilithium;3-phenylphthalate is sourced from PubChem (CID 130387255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).