lithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide

C19H22LiO2P — CID 141016736

IUPAClithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide
SMILESCc1cc(OCCC(C)C)ccc1[P-]C(=O)c1ccccc1.[Li+]
InChIInChI=1S/C19H22O2P.Li/c1-14(2)11-12-21-17-9-10-18(15(3)13-17)22-19(20)16-7-5-4-6-8-16;/h4-10,13-14H,11-12H2,1-3H3;/q-1;+1
InChIKeyFJFCTYZLPMNVLN-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.84
Rot. Bonds7

About lithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide

lithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide (PubChem CID 141016736) has the molecular formula C19H22LiO2P and a molecular weight of 320.30 g/mol. Its IUPAC name is lithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide.

Molecular Properties

Compound Namelithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide
PubChem CID141016736
Molecular FormulaC19H22LiO2P
Molecular Weight320.30 g/mol
Exact Mass320.15
IUPAC Namelithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide
SMILESCc1cc(OCCC(C)C)ccc1[P-]C(=O)c1ccccc1.[Li+]
InChIInChI=1S/C19H22O2P.Li/c1-14(2)11-12-21-17-9-10-18(15(3)13-17)22-19(20)16-7-5-4-6-8-16;/h4-10,13-14H,11-12H2,1-3H3;/q-1;+1
InChIKeyFJFCTYZLPMNVLN-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.84
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

lithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide
CID 141016907
lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide
CID 141016660
lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide
CID 141016382
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
3-[3-(3-methylbutoxy)benzoyl]oxybenzoic acid
CID 54855119
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide
CID 4927529
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134546
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18515180

Frequently Asked Questions

What is the IUPAC name of lithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide?
The IUPAC name of lithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide (CID 141016736) is lithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide.
What is the SMILES notation for lithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide?
The canonical SMILES for lithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide is Cc1cc(OCCC(C)C)ccc1[P-]C(=O)c1ccccc1.[Li+].
What is the InChIKey of lithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide?
The InChIKey is FJFCTYZLPMNVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2P.Li/c1-14(2)11-12-21-17-9-10-18(15(3)13-17)22-19(20)16-7-5-4-6-8-16;/h4-10,13-14H,11-12H2,1-3H3;/q-1;+1.
What are the key properties of lithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide?
lithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide has a molecular weight of 320.30 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide is sourced from PubChem (CID 141016736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).