lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone

C23H31LiO2P+ — CID 18514332

IUPAClithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
SMILESCCCCCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)cc1.[Li+]
InChIInChI=1S/C23H31O2P.Li/c1-6-7-8-9-14-25-20-10-12-21(13-11-20)26-23(24)22-17(3)15-16(2)18(4)19(22)5;/h10-13,15,26H,6-9,14H2,1-5H3;/q;+1
InChIKeyVAUIXZNNZDGJGH-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.03
Rot. Bonds9

About lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone

lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone (PubChem CID 18514332) has the molecular formula C23H31LiO2P+ and a molecular weight of 377.41 g/mol. Its IUPAC name is lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Namelithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
PubChem CID18514332
Molecular FormulaC23H31LiO2P+
Molecular Weight377.41 g/mol
Exact Mass377.22
IUPAC Namelithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
SMILESCCCCCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)cc1.[Li+]
InChIInChI=1S/C23H31O2P.Li/c1-6-7-8-9-14-25-20-10-12-21(13-11-20)26-23(24)22-17(3)15-16(2)18(4)19(22)5;/h10-13,15,26H,6-9,14H2,1-5H3;/q;+1
InChIKeyVAUIXZNNZDGJGH-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244822
lithium (4-pentoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514482
lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244590
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173244584
lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride
CID 173245275
(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18513750
lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173245206
lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
[2,6-bis(trifluoromethyl)phenyl]-(4-hexoxyphenyl)phosphanylmethanone
CID 18513556
(2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone
CID 18513885
(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone
CID 70016712

Frequently Asked Questions

What is the IUPAC name of lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The IUPAC name of lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone (CID 18514332) is lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone.
What is the SMILES notation for lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The canonical SMILES for lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone is CCCCCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)cc1.[Li+].
What is the InChIKey of lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The InChIKey is VAUIXZNNZDGJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31O2P.Li/c1-6-7-8-9-14-25-20-10-12-21(13-11-20)26-23(24)22-17(3)15-16(2)18(4)19(22)5;/h10-13,15,26H,6-9,14H2,1-5H3;/q;+1.
What are the key properties of lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone has a molecular weight of 377.41 g/mol, XLogP of 3.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone is sourced from PubChem (CID 18514332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).