dilithium;1-methoxy-4-(4-methoxybenzene-6-id-1-yl)benzene-5-ide

C14H12Li2O2 — CID 12845838

IUPACdilithium;1-methoxy-4-(4-methoxybenzene-6-id-1-yl)benzene-5-ide
SMILESCOc1c[c-]c(-c2[c-]cc(OC)cc2)cc1.[Li+].[Li+]
InChIInChI=1S/C14H12O2.2Li/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;;/h3,5,7-10H,1-2H3;;/q-2;2*+1
InChIKeyLJARFBIZGZELMB-UHFFFAOYSA-N
MW226.13 g/mol
LogP-3.02
Rot. Bonds3

About dilithium;1-methoxy-4-(4-methoxybenzene-6-id-1-yl)benzene-5-ide

dilithium;1-methoxy-4-(4-methoxybenzene-6-id-1-yl)benzene-5-ide (PubChem CID 12845838) has the molecular formula C14H12Li2O2 and a molecular weight of 226.13 g/mol. Its IUPAC name is dilithium;1-methoxy-4-(4-methoxybenzene-6-id-1-yl)benzene-5-ide.

Molecular Properties

Compound Namedilithium;1-methoxy-4-(4-methoxybenzene-6-id-1-yl)benzene-5-ide
PubChem CID12845838
Molecular FormulaC14H12Li2O2
Molecular Weight226.13 g/mol
Exact Mass226.12
IUPAC Namedilithium;1-methoxy-4-(4-methoxybenzene-6-id-1-yl)benzene-5-ide
SMILESCOc1c[c-]c(-c2[c-]cc(OC)cc2)cc1.[Li+].[Li+]
InChIInChI=1S/C14H12O2.2Li/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;;/h3,5,7-10H,1-2H3;;/q-2;2*+1
InChIKeyLJARFBIZGZELMB-UHFFFAOYSA-N
XLogP-3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 5-3.02
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

Lithium 1-methoxy-4-methylbenzene-6-ide
CID 10887914
2,7-Dimethoxybiphenylene
CID 11287311
Dimethoxycyclohexadiene
CID 14358150
Lithium 1-methoxy-3-methylbenzene-4-ide
CID 14790499
Lithium 1-methoxy-3,5-dimethylbenzene-4-ide
CID 14943724
3-Methoxy-1-methyl-1,3-cyclohexadiene
CID 145334
Lithium 2-methoxy-3-methylbenzen-1-ide
CID 57533097
1-Fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene
CID 161017271
1-Fluoro-3,9-dimethoxybenzo[d][2]benzoxepine
CID 172802591
(1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 6536678
8-Lithio-1-methoxynaphthalene
CID 13417963
1-Methoxy-2,5-dihydropropenylbenzene
CID 129805432

Frequently Asked Questions

What is the IUPAC name of dilithium;1-methoxy-4-(4-methoxybenzene-6-id-1-yl)benzene-5-ide?
The IUPAC name of dilithium;1-methoxy-4-(4-methoxybenzene-6-id-1-yl)benzene-5-ide (CID 12845838) is dilithium;1-methoxy-4-(4-methoxybenzene-6-id-1-yl)benzene-5-ide.
What is the SMILES notation for dilithium;1-methoxy-4-(4-methoxybenzene-6-id-1-yl)benzene-5-ide?
The canonical SMILES for dilithium;1-methoxy-4-(4-methoxybenzene-6-id-1-yl)benzene-5-ide is COc1c[c-]c(-c2[c-]cc(OC)cc2)cc1.[Li+].[Li+].
What is the InChIKey of dilithium;1-methoxy-4-(4-methoxybenzene-6-id-1-yl)benzene-5-ide?
The InChIKey is LJARFBIZGZELMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.2Li/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;;/h3,5,7-10H,1-2H3;;/q-2;2*+1.
What are the key properties of dilithium;1-methoxy-4-(4-methoxybenzene-6-id-1-yl)benzene-5-ide?
dilithium;1-methoxy-4-(4-methoxybenzene-6-id-1-yl)benzene-5-ide has a molecular weight of 226.13 g/mol, XLogP of -3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;1-methoxy-4-(4-methoxybenzene-6-id-1-yl)benzene-5-ide is sourced from PubChem (CID 12845838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).