lithium 2-(3-chlorophenoxy)acetate

C8H6ClLiO3 — CID 19205694

IUPAClithium 2-(3-chlorophenoxy)acetate
SMILESO=C([O-])COc1cccc(Cl)c1.[Li+]
InChIInChI=1S/C8H7ClO3.Li/c9-6-2-1-3-7(4-6)12-5-8(10)11;/h1-4H,5H2,(H,10,11);/q;+1/p-1
InChIKeyYSFSYPWQWXUZPH-UHFFFAOYSA-M
MW192.53 g/mol
LogP-2.53
Rot. Bonds3

About lithium 2-(3-chlorophenoxy)acetate

lithium 2-(3-chlorophenoxy)acetate (PubChem CID 19205694) has the molecular formula C8H6ClLiO3 and a molecular weight of 192.53 g/mol. Its IUPAC name is lithium 2-(3-chlorophenoxy)acetate.

Molecular Properties

Compound Namelithium 2-(3-chlorophenoxy)acetate
PubChem CID19205694
Molecular FormulaC8H6ClLiO3
Molecular Weight192.53 g/mol
Exact Mass192.02
IUPAC Namelithium 2-(3-chlorophenoxy)acetate
SMILESO=C([O-])COc1cccc(Cl)c1.[Li+]
InChIInChI=1S/C8H7ClO3.Li/c9-6-2-1-3-7(4-6)12-5-8(10)11;/h1-4H,5H2,(H,10,11);/q;+1/p-1
InChIKeyYSFSYPWQWXUZPH-UHFFFAOYSA-M
XLogP-2.53
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.53
LogP ≤ 5-2.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 2-(3-chlorophenoxy)acetate
CID 19179107
2-[(3-chlorophenoxy)methyl]prop-2-enoic acid;hydrochloride
CID 70511499
(propan-2-ylideneamino) 2-(3-chlorophenoxy)acetate
CID 88596489
2-(3-chlorophenoxy)-N-(methylcarbamoyl)acetamide
CID 2707679
1-(3-chlorophenoxy)-3-ethoxypropan-2-one
CID 114553807
azanium 2-(4-chlorophenoxy)acetate
CID 142591022
disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820
(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80750925
(E)-4-(3-chlorophenoxy)-3-methylbut-2-enoic acid
CID 63775220
1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone
CID 105113829
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanone
CID 60975454
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938

Frequently Asked Questions

What is the IUPAC name of lithium 2-(3-chlorophenoxy)acetate?
The IUPAC name of lithium 2-(3-chlorophenoxy)acetate (CID 19205694) is lithium 2-(3-chlorophenoxy)acetate.
What is the SMILES notation for lithium 2-(3-chlorophenoxy)acetate?
The canonical SMILES for lithium 2-(3-chlorophenoxy)acetate is O=C([O-])COc1cccc(Cl)c1.[Li+].
What is the InChIKey of lithium 2-(3-chlorophenoxy)acetate?
The InChIKey is YSFSYPWQWXUZPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7ClO3.Li/c9-6-2-1-3-7(4-6)12-5-8(10)11;/h1-4H,5H2,(H,10,11);/q;+1/p-1.
What are the key properties of lithium 2-(3-chlorophenoxy)acetate?
lithium 2-(3-chlorophenoxy)acetate has a molecular weight of 192.53 g/mol, XLogP of -2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(3-chlorophenoxy)acetate is sourced from PubChem (CID 19205694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).