lithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride

C18H21ClLiO3P — CID 174384987

IUPAClithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride
SMILESCOc1c(Cl)cc(P(OC(C)(C)C)c2ccccc2)cc1C=O.[H-].[Li+]
InChIInChI=1S/C18H20ClO3P.Li.H/c1-18(2,3)22-23(14-8-6-5-7-9-14)15-10-13(12-20)17(21-4)16(19)11-15;;/h5-12H,1-4H3;;/q;+1;-1
InChIKeyARJMVQQETLBSBI-UHFFFAOYSA-N
MW358.73 g/mol
LogP1.44
Rot. Bonds5

About lithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride

lithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride (PubChem CID 174384987) has the molecular formula C18H21ClLiO3P and a molecular weight of 358.73 g/mol. Its IUPAC name is lithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride.

Molecular Properties

Compound Namelithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride
PubChem CID174384987
Molecular FormulaC18H21ClLiO3P
Molecular Weight358.73 g/mol
Exact Mass358.11
IUPAC Namelithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride
SMILESCOc1c(Cl)cc(P(OC(C)(C)C)c2ccccc2)cc1C=O.[H-].[Li+]
InChIInChI=1S/C18H20ClO3P.Li.H/c1-18(2,3)22-23(14-8-6-5-7-9-14)15-10-13(12-20)17(21-4)16(19)11-15;;/h5-12H,1-4H3;;/q;+1;-1
InChIKeyARJMVQQETLBSBI-UHFFFAOYSA-N
XLogP1.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.73
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride?
The IUPAC name of lithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride (CID 174384987) is lithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride.
What is the SMILES notation for lithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride?
The canonical SMILES for lithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride is COc1c(Cl)cc(P(OC(C)(C)C)c2ccccc2)cc1C=O.[H-].[Li+].
What is the InChIKey of lithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride?
The InChIKey is ARJMVQQETLBSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClO3P.Li.H/c1-18(2,3)22-23(14-8-6-5-7-9-14)15-10-13(12-20)17(21-4)16(19)11-15;;/h5-12H,1-4H3;;/q;+1;-1.
What are the key properties of lithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride?
lithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride has a molecular weight of 358.73 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3-chloro-2-methoxy-5-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde;hydride is sourced from PubChem (CID 174384987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).