lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride

C18H22LiO4P — CID 173245012

IUPAClithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
SMILESCCCOc1ccc(PC(=O)c2c(OC)cccc2OC)cc1.[H-].[Li+]
InChIInChI=1S/C18H21O4P.Li.H/c1-4-12-22-13-8-10-14(11-9-13)23-18(19)17-15(20-2)6-5-7-16(17)21-3;;/h5-11,23H,4,12H2,1-3H3;;/q;+1;-1
InChIKeyPVEIHTQHHPRMTM-UHFFFAOYSA-N
MW340.29 g/mol
LogP0.75
Rot. Bonds8

About lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride

lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride (PubChem CID 173245012) has the molecular formula C18H22LiO4P and a molecular weight of 340.29 g/mol. Its IUPAC name is lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
PubChem CID173245012
Molecular FormulaC18H22LiO4P
Molecular Weight340.29 g/mol
Exact Mass340.14
IUPAC Namelithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
SMILESCCCOc1ccc(PC(=O)c2c(OC)cccc2OC)cc1.[H-].[Li+]
InChIInChI=1S/C18H21O4P.Li.H/c1-4-12-22-13-8-10-14(11-9-13)23-18(19)17-15(20-2)6-5-7-16(17)21-3;;/h5-11,23H,4,12H2,1-3H3;;/q;+1;-1
InChIKeyPVEIHTQHHPRMTM-UHFFFAOYSA-N
XLogP0.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 50.75
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;(2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244504
(2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone
CID 18513885
lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245926
(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone
CID 70016712
lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18513574
lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride
CID 173245275
(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
CID 18514543
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173244207
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244606
CID 70014116
CID 70014116

Frequently Asked Questions

What is the IUPAC name of lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride?
The IUPAC name of lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride (CID 173245012) is lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride is CCCOc1ccc(PC(=O)c2c(OC)cccc2OC)cc1.[H-].[Li+].
What is the InChIKey of lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride?
The InChIKey is PVEIHTQHHPRMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O4P.Li.H/c1-4-12-22-13-8-10-14(11-9-13)23-18(19)17-15(20-2)6-5-7-16(17)21-3;;/h5-11,23H,4,12H2,1-3H3;;/q;+1;-1.
What are the key properties of lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride?
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride has a molecular weight of 340.29 g/mol, XLogP of 0.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride is sourced from PubChem (CID 173245012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).