lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone

C17H17Cl2LiO2P+ — CID 18514531

IUPAClithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
SMILESCCCCOc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.[Li+]
InChIInChI=1S/C17H17Cl2O2P.Li/c1-2-3-11-21-12-7-9-13(10-8-12)22-17(20)16-14(18)5-4-6-15(16)19;/h4-10,22H,2-3,11H2,1H3;/q;+1
InChIKeyGMLCEZPXJLSODW-UHFFFAOYSA-N
MW362.14 g/mol
LogP2.32
Rot. Bonds7

About lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone

lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone (PubChem CID 18514531) has the molecular formula C17H17Cl2LiO2P+ and a molecular weight of 362.14 g/mol. Its IUPAC name is lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Namelithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
PubChem CID18514531
Molecular FormulaC17H17Cl2LiO2P+
Molecular Weight362.14 g/mol
Exact Mass361.05
IUPAC Namelithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
SMILESCCCCOc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.[Li+]
InChIInChI=1S/C17H17Cl2O2P.Li/c1-2-3-11-21-12-7-9-13(10-8-12)22-17(20)16-14(18)5-4-6-15(16)19;/h4-10,22H,2-3,11H2,1H3;/q;+1
InChIKeyGMLCEZPXJLSODW-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173245206
(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone
CID 70016712
lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride
CID 173245275
lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride
CID 173243447
lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245926
(2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone
CID 18513885
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012
CID 70014538
CID 70014538
lithium (4-pentoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514482
lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 18514138
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831

Frequently Asked Questions

What is the IUPAC name of lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone?
The IUPAC name of lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone (CID 18514531) is lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone?
The canonical SMILES for lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone is CCCCOc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.[Li+].
What is the InChIKey of lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone?
The InChIKey is GMLCEZPXJLSODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2O2P.Li/c1-2-3-11-21-12-7-9-13(10-8-12)22-17(20)16-14(18)5-4-6-15(16)19;/h4-10,22H,2-3,11H2,1H3;/q;+1.
What are the key properties of lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone?
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone has a molecular weight of 362.14 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 18514531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).