lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone

C17H19LiO5P+ — CID 18514847

IUPAClithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCOc1ccc(PC(=O)c2c(OC)cc(OC)cc2OC)cc1.[Li+]
InChIInChI=1S/C17H19O5P.Li/c1-19-11-5-7-13(8-6-11)23-17(18)16-14(21-3)9-12(20-2)10-15(16)22-4;/h5-10,23H,1-4H3;/q;+1
InChIKeyRTLFOIDZIBXJBO-UHFFFAOYSA-N
MW341.25 g/mol
LogP-0.13
Rot. Bonds7

About lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone

lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone (PubChem CID 18514847) has the molecular formula C17H19LiO5P+ and a molecular weight of 341.25 g/mol. Its IUPAC name is lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone.

Molecular Properties

Compound Namelithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
PubChem CID18514847
Molecular FormulaC17H19LiO5P+
Molecular Weight341.25 g/mol
Exact Mass341.11
IUPAC Namelithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCOc1ccc(PC(=O)c2c(OC)cc(OC)cc2OC)cc1.[Li+]
InChIInChI=1S/C17H19O5P.Li/c1-19-11-5-7-13(8-6-11)23-17(18)16-14(21-3)9-12(20-2)10-15(16)22-4;/h5-10,23H,1-4H3;/q;+1
InChIKeyRTLFOIDZIBXJBO-UHFFFAOYSA-N
XLogP-0.13
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70015637
(4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513535
[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514500
(4-phenylmethoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513508
lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
CID 18514898
lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride
CID 173244321
lithium;hydride;(2,4,6-trimethoxyphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
CID 173245955
lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18513574
[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18515293
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012
lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride
CID 173244539
lithium;(2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244504

Frequently Asked Questions

What is the IUPAC name of lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The IUPAC name of lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone (CID 18514847) is lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone.
What is the SMILES notation for lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The canonical SMILES for lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone is COc1ccc(PC(=O)c2c(OC)cc(OC)cc2OC)cc1.[Li+].
What is the InChIKey of lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The InChIKey is RTLFOIDZIBXJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O5P.Li/c1-19-11-5-7-13(8-6-11)23-17(18)16-14(21-3)9-12(20-2)10-15(16)22-4;/h5-10,23H,1-4H3;/q;+1.
What are the key properties of lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone has a molecular weight of 341.25 g/mol, XLogP of -0.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone is sourced from PubChem (CID 18514847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).