lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide

C14H10Cl2LiO2P — CID 141016757

IUPAClithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)[P-]c1ccccc1.[Li+]
InChIInChI=1S/C14H10Cl2O2P.Li/c1-18-13-11(16)8-7-10(15)12(13)14(17)19-9-5-3-2-4-6-9;/h2-8H,1H3;/q-1;+1
InChIKeyYEHDEVXLUYJDQV-UHFFFAOYSA-N
MW319.05 g/mol
LogP1.42
Rot. Bonds4

About lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide

lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide (PubChem CID 141016757) has the molecular formula C14H10Cl2LiO2P and a molecular weight of 319.05 g/mol. Its IUPAC name is lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide.

Molecular Properties

Compound Namelithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide
PubChem CID141016757
Molecular FormulaC14H10Cl2LiO2P
Molecular Weight319.05 g/mol
Exact Mass318.00
IUPAC Namelithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)[P-]c1ccccc1.[Li+]
InChIInChI=1S/C14H10Cl2O2P.Li/c1-18-13-11(16)8-7-10(15)12(13)14(17)19-9-5-3-2-4-6-9;/h2-8H,1H3;/q-1;+1
InChIKeyYEHDEVXLUYJDQV-UHFFFAOYSA-N
XLogP1.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.05
LogP ≤ 51.42
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

carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
3,6-dichloro-2-methoxy-N-methyl-N-phenylbenzamide
CID 86210175
azanium 3,6-dichloro-2-methoxybenzoate
CID 67127214
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716
3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide
CID 2788458
lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide
CID 141022766
lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide
CID 141016761
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643
[4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate
CID 160861566
lithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide
CID 141015990
lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide
CID 141016755
(3,6-dichloro-2-methoxyphenyl)-phenylphosphanylidenemethanolate
CID 141016758

Frequently Asked Questions

What is the IUPAC name of lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide?
The IUPAC name of lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide (CID 141016757) is lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide.
What is the SMILES notation for lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide?
The canonical SMILES for lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide is COc1c(Cl)ccc(Cl)c1C(=O)[P-]c1ccccc1.[Li+].
What is the InChIKey of lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide?
The InChIKey is YEHDEVXLUYJDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2P.Li/c1-18-13-11(16)8-7-10(15)12(13)14(17)19-9-5-3-2-4-6-9;/h2-8H,1H3;/q-1;+1.
What are the key properties of lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide?
lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide has a molecular weight of 319.05 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide is sourced from PubChem (CID 141016757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).