lithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride

C17H19ClLiO2P — CID 173244490

IUPAClithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride
SMILESCCCOc1ccc(PC(=O)c2ccccc2C)c(Cl)c1.[H-].[Li+]
InChIInChI=1S/C17H18ClO2P.Li.H/c1-3-10-20-13-8-9-16(15(18)11-13)21-17(19)14-7-5-4-6-12(14)2;;/h4-9,11,21H,3,10H2,1-2H3;;/q;+1;-1
InChIKeyAGOJJQKRGKPDOJ-UHFFFAOYSA-N
MW328.70 g/mol
LogP1.70
Rot. Bonds6

About lithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride

lithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride (PubChem CID 173244490) has the molecular formula C17H19ClLiO2P and a molecular weight of 328.70 g/mol. Its IUPAC name is lithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride.

Molecular Properties

Compound Namelithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride
PubChem CID173244490
Molecular FormulaC17H19ClLiO2P
Molecular Weight328.70 g/mol
Exact Mass328.10
IUPAC Namelithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride
SMILESCCCOc1ccc(PC(=O)c2ccccc2C)c(Cl)c1.[H-].[Li+]
InChIInChI=1S/C17H18ClO2P.Li.H/c1-3-10-20-13-8-9-16(15(18)11-13)21-17(19)14-7-5-4-6-12(14)2;;/h4-9,11,21H,3,10H2,1-2H3;;/q;+1;-1
InChIKeyAGOJJQKRGKPDOJ-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.70
LogP ≤ 51.70
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

(4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone
CID 18515249
lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride
CID 173245149
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
(2-chloro-4-methoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone
CID 18514350
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
(4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone
CID 18514141
(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 70014303
ethyl 2-chloro-4-propoxybenzoate
CID 82551799
(2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone
CID 18513550
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831

Frequently Asked Questions

What is the IUPAC name of lithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride?
The IUPAC name of lithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride (CID 173244490) is lithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride.
What is the SMILES notation for lithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride?
The canonical SMILES for lithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride is CCCOc1ccc(PC(=O)c2ccccc2C)c(Cl)c1.[H-].[Li+].
What is the InChIKey of lithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride?
The InChIKey is AGOJJQKRGKPDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClO2P.Li.H/c1-3-10-20-13-8-9-16(15(18)11-13)21-17(19)14-7-5-4-6-12(14)2;;/h4-9,11,21H,3,10H2,1-2H3;;/q;+1;-1.
What are the key properties of lithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride?
lithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride has a molecular weight of 328.70 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride is sourced from PubChem (CID 173244490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).