lithium 1,5-bis(2,6-dimethylphenyl)-2,4-dimethoxybenzene-3-ide

C24H25LiO2 — CID 166514552

IUPAClithium 1,5-bis(2,6-dimethylphenyl)-2,4-dimethoxybenzene-3-ide
SMILESCOc1[c-]c(OC)c(-c2c(C)cccc2C)cc1-c1c(C)cccc1C.[Li+]
InChIInChI=1S/C24H25O2.Li/c1-15-9-7-10-16(2)23(15)19-13-20(22(26-6)14-21(19)25-5)24-17(3)11-8-12-18(24)4;/h7-13H,1-6H3;/q-1;+1
InChIKeyIJRXHPYJTCBOKU-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.08
Rot. Bonds4

About lithium 1,5-bis(2,6-dimethylphenyl)-2,4-dimethoxybenzene-3-ide

lithium 1,5-bis(2,6-dimethylphenyl)-2,4-dimethoxybenzene-3-ide (PubChem CID 166514552) has the molecular formula C24H25LiO2 and a molecular weight of 352.40 g/mol. Its IUPAC name is lithium 1,5-bis(2,6-dimethylphenyl)-2,4-dimethoxybenzene-3-ide.

Molecular Properties

Compound Namelithium 1,5-bis(2,6-dimethylphenyl)-2,4-dimethoxybenzene-3-ide
PubChem CID166514552
Molecular FormulaC24H25LiO2
Molecular Weight352.40 g/mol
Exact Mass352.20
IUPAC Namelithium 1,5-bis(2,6-dimethylphenyl)-2,4-dimethoxybenzene-3-ide
SMILESCOc1[c-]c(OC)c(-c2c(C)cccc2C)cc1-c1c(C)cccc1C.[Li+]
InChIInChI=1S/C24H25O2.Li/c1-15-9-7-10-16(2)23(15)19-13-20(22(26-6)14-21(19)25-5)24-17(3)11-8-12-18(24)4;/h7-13H,1-6H3;/q-1;+1
InChIKeyIJRXHPYJTCBOKU-UHFFFAOYSA-N
XLogP3.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Nigerapyrone B
CID 53483952
nigerapyrone A
CID 53493727
4-butyl-3-fluoro-1-phenyl-1H-isochromene
CID 101716713
(1R,7S,7aR)-4-methyl-1-naphthalen-1-yl-7-prop-1-en-2-yl-1,6,7,7a-tetrahydro-2-benzofuran
CID 46878683
(E)-1,2-Dimethoxy-1,2-diphenylethene
CID 11806751
z-Dimethoxystilbene
CID 12610876
Bis-(2,4-dimethylbenzyl)-ether
CID 15254143
(1S)-3-fluoro-1-methyl-7-phenyl-1H-isochromene
CID 134966335
(1-Methoxy-2,2-diphenylethenyl)benzene
CID 349669
(2S,6S)-6-benzhydryl-2-methyl-3,6-dihydro-2H-pyran
CID 11140000
6-Benzhydrylidene-3,4-dimethyl-2,5-dihydropyran
CID 15499305
2-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyran
CID 72793122

Frequently Asked Questions

What is the IUPAC name of lithium 1,5-bis(2,6-dimethylphenyl)-2,4-dimethoxybenzene-3-ide?
The IUPAC name of lithium 1,5-bis(2,6-dimethylphenyl)-2,4-dimethoxybenzene-3-ide (CID 166514552) is lithium 1,5-bis(2,6-dimethylphenyl)-2,4-dimethoxybenzene-3-ide.
What is the SMILES notation for lithium 1,5-bis(2,6-dimethylphenyl)-2,4-dimethoxybenzene-3-ide?
The canonical SMILES for lithium 1,5-bis(2,6-dimethylphenyl)-2,4-dimethoxybenzene-3-ide is COc1[c-]c(OC)c(-c2c(C)cccc2C)cc1-c1c(C)cccc1C.[Li+].
What is the InChIKey of lithium 1,5-bis(2,6-dimethylphenyl)-2,4-dimethoxybenzene-3-ide?
The InChIKey is IJRXHPYJTCBOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O2.Li/c1-15-9-7-10-16(2)23(15)19-13-20(22(26-6)14-21(19)25-5)24-17(3)11-8-12-18(24)4;/h7-13H,1-6H3;/q-1;+1.
What are the key properties of lithium 1,5-bis(2,6-dimethylphenyl)-2,4-dimethoxybenzene-3-ide?
lithium 1,5-bis(2,6-dimethylphenyl)-2,4-dimethoxybenzene-3-ide has a molecular weight of 352.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,5-bis(2,6-dimethylphenyl)-2,4-dimethoxybenzene-3-ide is sourced from PubChem (CID 166514552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).