lithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide

C22H28LiO2P — CID 141016907

IUPAClithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide
SMILESCCCCC(CC)COc1ccc([P-]C(=O)c2ccccc2)c(C)c1.[Li+]
InChIInChI=1S/C22H28O2P.Li/c1-4-6-10-18(5-2)16-24-20-13-14-21(17(3)15-20)25-22(23)19-11-8-7-9-12-19;/h7-9,11-15,18H,4-6,10,16H2,1-3H3;/q-1;+1
InChIKeyXKCZDIALWJCOLS-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.01
Rot. Bonds10

About lithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide

lithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide (PubChem CID 141016907) has the molecular formula C22H28LiO2P and a molecular weight of 362.38 g/mol. Its IUPAC name is lithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide.

Molecular Properties

Compound Namelithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide
PubChem CID141016907
Molecular FormulaC22H28LiO2P
Molecular Weight362.38 g/mol
Exact Mass362.20
IUPAC Namelithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide
SMILESCCCCC(CC)COc1ccc([P-]C(=O)c2ccccc2)c(C)c1.[Li+]
InChIInChI=1S/C22H28O2P.Li/c1-4-6-10-18(5-2)16-24-20-13-14-21(17(3)15-20)25-22(23)19-11-8-7-9-12-19;/h7-9,11-15,18H,4-6,10,16H2,1-3H3;/q-1;+1
InChIKeyXKCZDIALWJCOLS-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.01
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-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide
CID 141016736
[4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone
CID 17353
1-[(2E,4E)-3,4-dimethyl-5-phenylhexa-2,4-dien-2-yl]-4-(2-ethylhexoxy)benzene
CID 59296842
2-[4-(2-ethylhexoxy)-2-methylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58830701
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene
CID 107171247
4-(2-ethylhexoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277300
CID 174926465
CID 174926465
ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone
CID 143798927
4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol
CID 83137393
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225

Frequently Asked Questions

What is the IUPAC name of lithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide?
The IUPAC name of lithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide (CID 141016907) is lithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide.
What is the SMILES notation for lithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide?
The canonical SMILES for lithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide is CCCCC(CC)COc1ccc([P-]C(=O)c2ccccc2)c(C)c1.[Li+].
What is the InChIKey of lithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide?
The InChIKey is XKCZDIALWJCOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2P.Li/c1-4-6-10-18(5-2)16-24-20-13-14-21(17(3)15-20)25-22(23)19-11-8-7-9-12-19;/h7-9,11-15,18H,4-6,10,16H2,1-3H3;/q-1;+1.
What are the key properties of lithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide?
lithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide has a molecular weight of 362.38 g/mol, XLogP of 3.01, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide is sourced from PubChem (CID 141016907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).