lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone

C19H13Cl2LiO2P+ — CID 18514686

IUPAClithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone
SMILESO=C(Pc1ccc(Oc2ccccc2)cc1)c1c(Cl)cccc1Cl.[Li+]
InChIInChI=1S/C19H13Cl2O2P.Li/c20-16-7-4-8-17(21)18(16)19(22)24-15-11-9-14(10-12-15)23-13-5-2-1-3-6-13;/h1-12,24H;/q;+1
InChIKeyHQYIUHREFUUFFP-UHFFFAOYSA-N
MW382.13 g/mol
LogP2.93
Rot. Bonds5

About lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone

lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone (PubChem CID 18514686) has the molecular formula C19H13Cl2LiO2P+ and a molecular weight of 382.13 g/mol. Its IUPAC name is lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone.

Molecular Properties

Compound Namelithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone
PubChem CID18514686
Molecular FormulaC19H13Cl2LiO2P+
Molecular Weight382.13 g/mol
Exact Mass381.02
IUPAC Namelithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone
SMILESO=C(Pc1ccc(Oc2ccccc2)cc1)c1c(Cl)cccc1Cl.[Li+]
InChIInChI=1S/C19H13Cl2O2P.Li/c20-16-7-4-8-17(21)18(16)19(22)24-15-11-9-14(10-12-15)23-13-5-2-1-3-6-13;/h1-12,24H;/q;+1
InChIKeyHQYIUHREFUUFFP-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.13
LogP ≤ 52.93
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

[4-(2,6-dichlorobenzoyl)phosphanylphenyl] benzoate
CID 139895681
lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 18514138
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
CID 70016005
CID 70016005
lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245757
(4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513535
lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone
CID 173243395
lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride
CID 173243447
(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone
CID 18513729
(2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70013626
lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245926

Frequently Asked Questions

What is the IUPAC name of lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone?
The IUPAC name of lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone (CID 18514686) is lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone.
What is the SMILES notation for lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone?
The canonical SMILES for lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone is O=C(Pc1ccc(Oc2ccccc2)cc1)c1c(Cl)cccc1Cl.[Li+].
What is the InChIKey of lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone?
The InChIKey is HQYIUHREFUUFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2O2P.Li/c20-16-7-4-8-17(21)18(16)19(22)24-15-11-9-14(10-12-15)23-13-5-2-1-3-6-13;/h1-12,24H;/q;+1.
What are the key properties of lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone?
lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone has a molecular weight of 382.13 g/mol, XLogP of 2.93, 5 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-phenoxyphenyl)phosphanylmethanone is sourced from PubChem (CID 18514686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).