lithium (2-diphenylphosphanylphenyl)methanolate

C19H16LiOP — CID 102445042

IUPAClithium (2-diphenylphosphanylphenyl)methanolate
SMILES[Li+].[O-]Cc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16OP.Li/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18;/h1-14H,15H2;/q-1;+1
InChIKeyRBMQDCZEHJDKFG-UHFFFAOYSA-N
MW298.25 g/mol
LogP-0.69
Rot. Bonds4

About lithium (2-diphenylphosphanylphenyl)methanolate

lithium (2-diphenylphosphanylphenyl)methanolate (PubChem CID 102445042) has the molecular formula C19H16LiOP and a molecular weight of 298.25 g/mol. Its IUPAC name is lithium (2-diphenylphosphanylphenyl)methanolate.

Molecular Properties

Compound Namelithium (2-diphenylphosphanylphenyl)methanolate
PubChem CID102445042
Molecular FormulaC19H16LiOP
Molecular Weight298.25 g/mol
Exact Mass298.11
IUPAC Namelithium (2-diphenylphosphanylphenyl)methanolate
SMILES[Li+].[O-]Cc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16OP.Li/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18;/h1-14H,15H2;/q-1;+1
InChIKeyRBMQDCZEHJDKFG-UHFFFAOYSA-N
XLogP-0.69
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol
CID 155445648
[2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide
CID 172706183
[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172706250
2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride
CID 172741972
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid
CID 101007725
[2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172850190
(2-diphenylphosphanylphenyl)methyl-hydroxy-oxophosphanium
CID 22447243
(2-pentylphenyl)-diphenylphosphane
CID 22731138
(2-butylphenyl)-diphenylphosphane;hydrobromide
CID 173070100
[2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane
CID 175898296

Frequently Asked Questions

What is the IUPAC name of lithium (2-diphenylphosphanylphenyl)methanolate?
The IUPAC name of lithium (2-diphenylphosphanylphenyl)methanolate (CID 102445042) is lithium (2-diphenylphosphanylphenyl)methanolate.
What is the SMILES notation for lithium (2-diphenylphosphanylphenyl)methanolate?
The canonical SMILES for lithium (2-diphenylphosphanylphenyl)methanolate is [Li+].[O-]Cc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of lithium (2-diphenylphosphanylphenyl)methanolate?
The InChIKey is RBMQDCZEHJDKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16OP.Li/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18;/h1-14H,15H2;/q-1;+1.
What are the key properties of lithium (2-diphenylphosphanylphenyl)methanolate?
lithium (2-diphenylphosphanylphenyl)methanolate has a molecular weight of 298.25 g/mol, XLogP of -0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2-diphenylphosphanylphenyl)methanolate is sourced from PubChem (CID 102445042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).