lithium 1,4-dimethoxy-2-(methoxymethoxy)benzene-3-ide

C10H13LiO4 — CID 177464290

IUPAClithium 1,4-dimethoxy-2-(methoxymethoxy)benzene-3-ide
SMILESCOCOc1[c-]c(OC)ccc1OC.[Li+]
InChIInChI=1S/C10H13O4.Li/c1-11-7-14-10-6-8(12-2)4-5-9(10)13-3;/h4-5H,7H2,1-3H3;/q-1;+1
InChIKeyJNZOFPHHUUTASO-UHFFFAOYSA-N
MW204.15 g/mol
LogP-1.51
Rot. Bonds5

About lithium 1,4-dimethoxy-2-(methoxymethoxy)benzene-3-ide

lithium 1,4-dimethoxy-2-(methoxymethoxy)benzene-3-ide (PubChem CID 177464290) has the molecular formula C10H13LiO4 and a molecular weight of 204.15 g/mol. Its IUPAC name is lithium 1,4-dimethoxy-2-(methoxymethoxy)benzene-3-ide.

Molecular Properties

Compound Namelithium 1,4-dimethoxy-2-(methoxymethoxy)benzene-3-ide
PubChem CID177464290
Molecular FormulaC10H13LiO4
Molecular Weight204.15 g/mol
Exact Mass204.10
IUPAC Namelithium 1,4-dimethoxy-2-(methoxymethoxy)benzene-3-ide
SMILESCOCOc1[c-]c(OC)ccc1OC.[Li+]
InChIInChI=1S/C10H13O4.Li/c1-11-7-14-10-6-8(12-2)4-5-9(10)13-3;/h4-5H,7H2,1-3H3;/q-1;+1
InChIKeyJNZOFPHHUUTASO-UHFFFAOYSA-N
XLogP-1.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

lithium N,N-diethyl-3,4-bis(methoxymethoxy)benzene-2-ide-1-carboxamide
CID 10402707
[2-methoxy-6-(methoxymethoxy)phenyl]methanamine
CID 71420177
3-bromo-6-methoxy-2-(methoxymethoxy)phenol
CID 67466846
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine
CID 65364643
2-bromo-1-chloro-3-(methoxymethoxy)benzene
CID 164894389
2-bromo-1-chloro-4-(methoxymethoxy)benzene
CID 162421095
magnesium;1,3-dimethoxybenzene-2-ide;bromide
CID 15635491
1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
CID 65365311
1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene
CID 11730255
2-chloro-4-methoxy-3-(methoxymethoxy)pyridine
CID 102262534
1,4-bis(methoxymethoxy)benzene
CID 542643

Frequently Asked Questions

What is the IUPAC name of lithium 1,4-dimethoxy-2-(methoxymethoxy)benzene-3-ide?
The IUPAC name of lithium 1,4-dimethoxy-2-(methoxymethoxy)benzene-3-ide (CID 177464290) is lithium 1,4-dimethoxy-2-(methoxymethoxy)benzene-3-ide.
What is the SMILES notation for lithium 1,4-dimethoxy-2-(methoxymethoxy)benzene-3-ide?
The canonical SMILES for lithium 1,4-dimethoxy-2-(methoxymethoxy)benzene-3-ide is COCOc1[c-]c(OC)ccc1OC.[Li+].
What is the InChIKey of lithium 1,4-dimethoxy-2-(methoxymethoxy)benzene-3-ide?
The InChIKey is JNZOFPHHUUTASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O4.Li/c1-11-7-14-10-6-8(12-2)4-5-9(10)13-3;/h4-5H,7H2,1-3H3;/q-1;+1.
What are the key properties of lithium 1,4-dimethoxy-2-(methoxymethoxy)benzene-3-ide?
lithium 1,4-dimethoxy-2-(methoxymethoxy)benzene-3-ide has a molecular weight of 204.15 g/mol, XLogP of -1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,4-dimethoxy-2-(methoxymethoxy)benzene-3-ide is sourced from PubChem (CID 177464290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).