lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone

C29H27LiO3P+ — CID 18514058

IUPAClithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)Pc1ccc(OCc2ccccc2)cc1OCc1ccccc1.[Li+]
InChIInChI=1S/C29H27O3P.Li/c1-21-10-9-11-22(2)28(21)29(30)33-27-17-16-25(31-19-23-12-5-3-6-13-23)18-26(27)32-20-24-14-7-4-8-15-24;/h3-18,33H,19-20H2,1-2H3;/q;+1
InChIKeyHONDSLQDOPQWNT-UHFFFAOYSA-N
MW461.45 g/mol
LogP3.61
Rot. Bonds9

About lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone

lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone (PubChem CID 18514058) has the molecular formula C29H27LiO3P+ and a molecular weight of 461.45 g/mol. Its IUPAC name is lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Namelithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone
PubChem CID18514058
Molecular FormulaC29H27LiO3P+
Molecular Weight461.45 g/mol
Exact Mass461.19
IUPAC Namelithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)Pc1ccc(OCc2ccccc2)cc1OCc1ccccc1.[Li+]
InChIInChI=1S/C29H27O3P.Li/c1-21-10-9-11-22(2)28(21)29(30)33-27-17-16-25(31-19-23-12-5-3-6-13-23)18-26(27)32-20-24-14-7-4-8-15-24;/h3-18,33H,19-20H2,1-2H3;/q;+1
InChIKeyHONDSLQDOPQWNT-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514044
lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18514819
CID 70012742
CID 70012742
CID 70016387
CID 70016387
lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride
CID 173243461
lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
CID 18515168
CID 70012958
CID 70012958
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride
CID 173245136
lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
CID 173244571
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 22241425

Frequently Asked Questions

What is the IUPAC name of lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone?
The IUPAC name of lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone (CID 18514058) is lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone.
What is the SMILES notation for lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone?
The canonical SMILES for lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone is Cc1cccc(C)c1C(=O)Pc1ccc(OCc2ccccc2)cc1OCc1ccccc1.[Li+].
What is the InChIKey of lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone?
The InChIKey is HONDSLQDOPQWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27O3P.Li/c1-21-10-9-11-22(2)28(21)29(30)33-27-17-16-25(31-19-23-12-5-3-6-13-23)18-26(27)32-20-24-14-7-4-8-15-24;/h3-18,33H,19-20H2,1-2H3;/q;+1.
What are the key properties of lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone?
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone has a molecular weight of 461.45 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone is sourced from PubChem (CID 18514058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).