lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone

C23H31LiO2P+ — CID 18515180

IUPAClithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
SMILESCc1cc(OCCC(C)C)ccc1PC(=O)c1c(C)cc(C)c(C)c1C.[Li+]
InChIInChI=1S/C23H31O2P.Li/c1-14(2)10-11-25-20-8-9-21(16(4)13-20)26-23(24)22-17(5)12-15(3)18(6)19(22)7;/h8-9,12-14,26H,10-11H2,1-7H3;/q;+1
InChIKeyWLRFGAWVJPFQQO-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.80
Rot. Bonds7

About lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone

lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone (PubChem CID 18515180) has the molecular formula C23H31LiO2P+ and a molecular weight of 377.41 g/mol. Its IUPAC name is lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Namelithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
PubChem CID18515180
Molecular FormulaC23H31LiO2P+
Molecular Weight377.41 g/mol
Exact Mass377.22
IUPAC Namelithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
SMILESCc1cc(OCCC(C)C)ccc1PC(=O)c1c(C)cc(C)c(C)c1C.[Li+]
InChIInChI=1S/C23H31O2P.Li/c1-14(2)10-11-25-20-8-9-21(16(4)13-20)26-23(24)22-17(5)12-15(3)18(6)19(22)7;/h8-9,12-14,26H,10-11H2,1-7H3;/q;+1
InChIKeyWLRFGAWVJPFQQO-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 173245078
lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244590
lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 173244960
(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18513750
CID 70016390
CID 70016390
lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173245324
lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244822
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514044
lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173243207
lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514332
CID 70014164
CID 70014164
[2,4-bis(3-methylbutoxy)phenyl]phosphanyl-[2,6-bis(trifluoromethyl)phenyl]methanone
CID 18515186

Frequently Asked Questions

What is the IUPAC name of lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The IUPAC name of lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone (CID 18515180) is lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone.
What is the SMILES notation for lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The canonical SMILES for lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone is Cc1cc(OCCC(C)C)ccc1PC(=O)c1c(C)cc(C)c(C)c1C.[Li+].
What is the InChIKey of lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The InChIKey is WLRFGAWVJPFQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31O2P.Li/c1-14(2)10-11-25-20-8-9-21(16(4)13-20)26-23(24)22-17(5)12-15(3)18(6)19(22)7;/h8-9,12-14,26H,10-11H2,1-7H3;/q;+1.
What are the key properties of lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone has a molecular weight of 377.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone is sourced from PubChem (CID 18515180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).