lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone

C17H17Cl2LiO2P+ — CID 18514138

IUPAClithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
SMILESCC(C)(C)Oc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.[Li+]
InChIInChI=1S/C17H17Cl2O2P.Li/c1-17(2,3)21-11-7-9-12(10-8-11)22-16(20)15-13(18)5-4-6-14(15)19;/h4-10,22H,1-3H3;/q;+1
InChIKeyQMAAYBNJOBAQDN-UHFFFAOYSA-N
MW362.14 g/mol
LogP2.32
Rot. Bonds4

About lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone

lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone (PubChem CID 18514138) has the molecular formula C17H17Cl2LiO2P+ and a molecular weight of 362.14 g/mol. Its IUPAC name is lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone.

Molecular Properties

Compound Namelithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
PubChem CID18514138
Molecular FormulaC17H17Cl2LiO2P+
Molecular Weight362.14 g/mol
Exact Mass361.05
IUPAC Namelithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
SMILESCC(C)(C)Oc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.[Li+]
InChIInChI=1S/C17H17Cl2O2P.Li/c1-17(2,3)21-11-7-9-12(10-8-11)22-16(20)15-13(18)5-4-6-14(15)19;/h4-10,22H,1-3H3;/q;+1
InChIKeyQMAAYBNJOBAQDN-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.14
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone?
The IUPAC name of lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone (CID 18514138) is lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone.
What is the SMILES notation for lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone?
The canonical SMILES for lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone is CC(C)(C)Oc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.[Li+].
What is the InChIKey of lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone?
The InChIKey is QMAAYBNJOBAQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2O2P.Li/c1-17(2,3)21-11-7-9-12(10-8-11)22-16(20)15-13(18)5-4-6-14(15)19;/h4-10,22H,1-3H3;/q;+1.
What are the key properties of lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone?
lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone has a molecular weight of 362.14 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone is sourced from PubChem (CID 18514138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).