lithium 3,5-dimethoxybenzoate

C9H9LiO4 — CID 19205782

IUPAClithium 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)[O-])c1.[Li+]
InChIInChI=1S/C9H10O4.Li/c1-12-7-3-6(9(10)11)4-8(5-7)13-2;/h3-5H,1-2H3,(H,10,11);/q;+1/p-1
InChIKeyQPHJWIWWZRJJRM-UHFFFAOYSA-M
MW188.11 g/mol
LogP-2.93
Rot. Bonds3

About lithium 3,5-dimethoxybenzoate

lithium 3,5-dimethoxybenzoate (PubChem CID 19205782) has the molecular formula C9H9LiO4 and a molecular weight of 188.11 g/mol. Its IUPAC name is lithium 3,5-dimethoxybenzoate.

Molecular Properties

Compound Namelithium 3,5-dimethoxybenzoate
PubChem CID19205782
Molecular FormulaC9H9LiO4
Molecular Weight188.11 g/mol
Exact Mass188.07
IUPAC Namelithium 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)[O-])c1.[Li+]
InChIInChI=1S/C9H10O4.Li/c1-12-7-3-6(9(10)11)4-8(5-7)13-2;/h3-5H,1-2H3,(H,10,11);/q;+1/p-1
InChIKeyQPHJWIWWZRJJRM-UHFFFAOYSA-M
XLogP-2.93
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-2.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

magnesium bis(3-chloro-5-methoxybenzoate)
CID 160501066
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
3,5-dimethoxybenzoyl fluoride
CID 102051744
1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820
1,3,5-trimethoxybenzene;urea
CID 174919725
3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide
CID 86920278
2-chloro-1-(3,5-dimethoxyphenyl)ethanone
CID 12526559
3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 8822569
3-(3,5-dimethoxyphenyl)but-2-enal
CID 57055775
phosphane;1,3,5-trimethoxybenzene
CID 175232895
methyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate
CID 30886768
N-ethyl-3,5-dimethoxybenzamide
CID 4286127

Frequently Asked Questions

What is the IUPAC name of lithium 3,5-dimethoxybenzoate?
The IUPAC name of lithium 3,5-dimethoxybenzoate (CID 19205782) is lithium 3,5-dimethoxybenzoate.
What is the SMILES notation for lithium 3,5-dimethoxybenzoate?
The canonical SMILES for lithium 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)[O-])c1.[Li+].
What is the InChIKey of lithium 3,5-dimethoxybenzoate?
The InChIKey is QPHJWIWWZRJJRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O4.Li/c1-12-7-3-6(9(10)11)4-8(5-7)13-2;/h3-5H,1-2H3,(H,10,11);/q;+1/p-1.
What are the key properties of lithium 3,5-dimethoxybenzoate?
lithium 3,5-dimethoxybenzoate has a molecular weight of 188.11 g/mol, XLogP of -2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3,5-dimethoxybenzoate is sourced from PubChem (CID 19205782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).