lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide

C24H31ClLiO4P — CID 141016208

IUPAClithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide
SMILESCCCCCOc1ccc([P-]C(=O)c2c(Cl)cccc2OC)c(OCCCCC)c1.[Li+]
InChIInChI=1S/C24H31ClO4P.Li/c1-4-6-8-15-28-18-13-14-22(21(17-18)29-16-9-7-5-2)30-24(26)23-19(25)11-10-12-20(23)27-3;/h10-14,17H,4-9,15-16H2,1-3H3;/q-1;+1
InChIKeyVWAVQIQJUAWNLR-UHFFFAOYSA-N
MW456.88 g/mol
LogP3.90
Rot. Bonds14

About lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide

lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide (PubChem CID 141016208) has the molecular formula C24H31ClLiO4P and a molecular weight of 456.88 g/mol. Its IUPAC name is lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide.

Molecular Properties

Compound Namelithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide
PubChem CID141016208
Molecular FormulaC24H31ClLiO4P
Molecular Weight456.88 g/mol
Exact Mass456.18
IUPAC Namelithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide
SMILESCCCCCOc1ccc([P-]C(=O)c2c(Cl)cccc2OC)c(OCCCCC)c1.[Li+]
InChIInChI=1S/C24H31ClO4P.Li/c1-4-6-8-15-28-18-13-14-22(21(17-18)29-16-9-7-5-2)30-24(26)23-19(25)11-10-12-20(23)27-3;/h10-14,17H,4-9,15-16H2,1-3H3;/q-1;+1
InChIKeyVWAVQIQJUAWNLR-UHFFFAOYSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.88
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide
CID 141015912
(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone
CID 70016712
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
[(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22717592
(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18513985
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide
CID 141016761
pentyl 2-[(2-chloro-6-methoxybenzoyl)-phenylphosphoryl]acetate
CID 172720574

Frequently Asked Questions

What is the IUPAC name of lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide?
The IUPAC name of lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide (CID 141016208) is lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide.
What is the SMILES notation for lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide?
The canonical SMILES for lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide is CCCCCOc1ccc([P-]C(=O)c2c(Cl)cccc2OC)c(OCCCCC)c1.[Li+].
What is the InChIKey of lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide?
The InChIKey is VWAVQIQJUAWNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClO4P.Li/c1-4-6-8-15-28-18-13-14-22(21(17-18)29-16-9-7-5-2)30-24(26)23-19(25)11-10-12-20(23)27-3;/h10-14,17H,4-9,15-16H2,1-3H3;/q-1;+1.
What are the key properties of lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide?
lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide has a molecular weight of 456.88 g/mol, XLogP of 3.90, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide is sourced from PubChem (CID 141016208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).