lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone

C16H17LiOP+ — CID 18513809

IUPAClithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone
SMILESCc1ccc(PC(=O)c2c(C)cccc2C)cc1.[Li+]
InChIInChI=1S/C16H17OP.Li/c1-11-7-9-14(10-8-11)18-16(17)15-12(2)5-4-6-13(15)3;/h4-10,18H,1-3H3;/q;+1
InChIKeyHZKWLDIMPRCJQY-UHFFFAOYSA-N
MW263.23 g/mol
LogP0.76
Rot. Bonds3

About lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone

lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone (PubChem CID 18513809) has the molecular formula C16H17LiOP+ and a molecular weight of 263.23 g/mol. Its IUPAC name is lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone.

Molecular Properties

Compound Namelithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone
PubChem CID18513809
Molecular FormulaC16H17LiOP+
Molecular Weight263.23 g/mol
Exact Mass263.12
IUPAC Namelithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone
SMILESCc1ccc(PC(=O)c2c(C)cccc2C)cc1.[Li+]
InChIInChI=1S/C16H17OP.Li/c1-11-7-9-14(10-8-11)18-16(17)15-12(2)5-4-6-13(15)3;/h4-10,18H,1-3H3;/q;+1
InChIKeyHZKWLDIMPRCJQY-UHFFFAOYSA-N
XLogP0.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride
CID 173245177
lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride
CID 173245275
(2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone
CID 18513885
CID 70014251
CID 70014251
(2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70015731
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(4-phenylphenyl)phosphanylmethanone;hydride
CID 173245629
(4-tert-butyl-2,6-dimethylphenyl)-phenylphosphanylmethanone
CID 18514788
lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
CID 18515168
(2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone
CID 18513613
lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173245206
lithium (4-pentoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514482
lithium;(2-chloro-6-methylphenyl)-(2-methylphenyl)phosphanylmethanone;hydride
CID 173244894

Frequently Asked Questions

What is the IUPAC name of lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone?
The IUPAC name of lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone (CID 18513809) is lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone.
What is the SMILES notation for lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone?
The canonical SMILES for lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone is Cc1ccc(PC(=O)c2c(C)cccc2C)cc1.[Li+].
What is the InChIKey of lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone?
The InChIKey is HZKWLDIMPRCJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17OP.Li/c1-11-7-9-14(10-8-11)18-16(17)15-12(2)5-4-6-13(15)3;/h4-10,18H,1-3H3;/q;+1.
What are the key properties of lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone?
lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone has a molecular weight of 263.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone is sourced from PubChem (CID 18513809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).