lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide

C18H20LiOP — CID 141023057

IUPAClithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide
SMILESCc1cccc(-c2ccccc2)c1C(=O)[P-]CC(C)C.[Li+]
InChIInChI=1S/C18H20OP.Li/c1-13(2)12-20-18(19)17-14(3)8-7-11-16(17)15-9-5-4-6-10-15;/h4-11,13H,12H2,1-3H3;/q-1;+1
InChIKeyDDZGHSINDZREMD-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.41
Rot. Bonds5

About lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide

lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide (PubChem CID 141023057) has the molecular formula C18H20LiOP and a molecular weight of 290.27 g/mol. Its IUPAC name is lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide.

Molecular Properties

Compound Namelithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide
PubChem CID141023057
Molecular FormulaC18H20LiOP
Molecular Weight290.27 g/mol
Exact Mass290.14
IUPAC Namelithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide
SMILESCc1cccc(-c2ccccc2)c1C(=O)[P-]CC(C)C.[Li+]
InChIInChI=1S/C18H20OP.Li/c1-13(2)12-20-18(19)17-14(3)8-7-11-16(17)15-9-5-4-6-10-15;/h4-11,13H,12H2,1-3H3;/q-1;+1
InChIKeyDDZGHSINDZREMD-UHFFFAOYSA-N
XLogP2.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.41
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;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one
CID 174476920
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
lithium;ethylphosphanyl-(2-methyl-6-phenylphenyl)methanone;hydride
CID 174386730
(2S)-2-[(2-methyl-6-phenylbenzoyl)amino]-4-sulfobutanoic acid
CID 89123732
(2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone
CID 70014310
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
carbonic acid;1-(2-methylpropyl)-2-phenylbenzene
CID 157367920
CID 160597109
CID 160597109
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333
2-methyl-6-phenylbenzenesulfonic acid
CID 23031918
2-methyl-6-phenylphenol
CID 12592481
CID 159103638
CID 159103638

Frequently Asked Questions

What is the IUPAC name of lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide?
The IUPAC name of lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide (CID 141023057) is lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide.
What is the SMILES notation for lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide?
The canonical SMILES for lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide is Cc1cccc(-c2ccccc2)c1C(=O)[P-]CC(C)C.[Li+].
What is the InChIKey of lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide?
The InChIKey is DDZGHSINDZREMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OP.Li/c1-13(2)12-20-18(19)17-14(3)8-7-11-16(17)15-9-5-4-6-10-15;/h4-11,13H,12H2,1-3H3;/q-1;+1.
What are the key properties of lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide?
lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide has a molecular weight of 290.27 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide is sourced from PubChem (CID 141023057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).