lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride

C19H24LiO4P — CID 174416318

IUPAClithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride
SMILESCOc1cc(P(OCC(C)C)c2ccccc2)cc(OC)c1C=O.[H-].[Li+]
InChIInChI=1S/C19H23O4P.Li.H/c1-14(2)13-23-24(15-8-6-5-7-9-15)16-10-18(21-3)17(12-20)19(11-16)22-4;;/h5-12,14H,13H2,1-4H3;;/q;+1;-1
InChIKeyXXDMRNBUXKXWOX-UHFFFAOYSA-N
MW354.31 g/mol
LogP0.65
Rot. Bonds8

About lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride

lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride (PubChem CID 174416318) has the molecular formula C19H24LiO4P and a molecular weight of 354.31 g/mol. Its IUPAC name is lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride.

Molecular Properties

Compound Namelithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride
PubChem CID174416318
Molecular FormulaC19H24LiO4P
Molecular Weight354.31 g/mol
Exact Mass354.16
IUPAC Namelithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride
SMILESCOc1cc(P(OCC(C)C)c2ccccc2)cc(OC)c1C=O.[H-].[Li+]
InChIInChI=1S/C19H23O4P.Li.H/c1-14(2)13-23-24(15-8-6-5-7-9-15)16-10-18(21-3)17(12-20)19(11-16)22-4;;/h5-12,14H,13H2,1-4H3;;/q;+1;-1
InChIKeyXXDMRNBUXKXWOX-UHFFFAOYSA-N
XLogP0.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde
CID 91083738
2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde
CID 90687309
2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde
CID 91071721
4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde
CID 146519174
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
lithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride
CID 174384987
1-diphenylphosphanyloxy-3-phenylpropan-2-amine
CID 101232459
4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde
CID 87725227
4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde
CID 124564377
2-(benzenesulfonylmethyl)-4,5-dimethoxybenzaldehyde
CID 102531525
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760

Frequently Asked Questions

What is the IUPAC name of lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride?
The IUPAC name of lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride (CID 174416318) is lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride.
What is the SMILES notation for lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride?
The canonical SMILES for lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride is COc1cc(P(OCC(C)C)c2ccccc2)cc(OC)c1C=O.[H-].[Li+].
What is the InChIKey of lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride?
The InChIKey is XXDMRNBUXKXWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O4P.Li.H/c1-14(2)13-23-24(15-8-6-5-7-9-15)16-10-18(21-3)17(12-20)19(11-16)22-4;;/h5-12,14H,13H2,1-4H3;;/q;+1;-1.
What are the key properties of lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride?
lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride has a molecular weight of 354.31 g/mol, XLogP of 0.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride is sourced from PubChem (CID 174416318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).