lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone

C23H31LiO4P+ — CID 18514443

IUPAClithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
SMILESCCOc1cc(OCC)c(PC(=O)c2c(C)cc(C)c(C)c2C)c(OCC)c1.[Li+]
InChIInChI=1S/C23H31O4P.Li/c1-8-25-18-12-19(26-9-2)22(20(13-18)27-10-3)28-23(24)21-15(5)11-14(4)16(6)17(21)7;/h11-13,28H,8-10H2,1-7H3;/q;+1
InChIKeySUROVVZYDNWJKA-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.26
Rot. Bonds9

About lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone

lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone (PubChem CID 18514443) has the molecular formula C23H31LiO4P+ and a molecular weight of 409.41 g/mol. Its IUPAC name is lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone.

Molecular Properties

Compound Namelithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
PubChem CID18514443
Molecular FormulaC23H31LiO4P+
Molecular Weight409.41 g/mol
Exact Mass409.21
IUPAC Namelithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
SMILESCCOc1cc(OCC)c(PC(=O)c2c(C)cc(C)c(C)c2C)c(OCC)c1.[Li+]
InChIInChI=1S/C23H31O4P.Li/c1-8-25-18-12-19(26-9-2)22(20(13-18)27-10-3)28-23(24)21-15(5)11-14(4)16(6)17(21)7;/h11-13,28H,8-10H2,1-7H3;/q;+1
InChIKeySUROVVZYDNWJKA-UHFFFAOYSA-N
XLogP2.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173245324
(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514742
CID 70015738
CID 70015738
(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514959
(2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 18515217
lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514587
lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
CID 173245877
lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
CID 173243893
lithium;hydride;(2,4,6-trimethylphenyl)-(2,4,6-tripentoxyphenyl)phosphanylmethanone
CID 173244414
(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone
CID 18514442
(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18513750
lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244822

Frequently Asked Questions

What is the IUPAC name of lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone?
The IUPAC name of lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone (CID 18514443) is lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone.
What is the SMILES notation for lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone?
The canonical SMILES for lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone is CCOc1cc(OCC)c(PC(=O)c2c(C)cc(C)c(C)c2C)c(OCC)c1.[Li+].
What is the InChIKey of lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone?
The InChIKey is SUROVVZYDNWJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31O4P.Li/c1-8-25-18-12-19(26-9-2)22(20(13-18)27-10-3)28-23(24)21-15(5)11-14(4)16(6)17(21)7;/h11-13,28H,8-10H2,1-7H3;/q;+1.
What are the key properties of lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone?
lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone has a molecular weight of 409.41 g/mol, XLogP of 2.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone is sourced from PubChem (CID 18514443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).