lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide

C25H27Cl4LiO7 — CID 158093078

IUPAClithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide
SMILESCOC(=O)c1cc(Cl)c(OC2CCCC2)c(Cl)c1.O=C(O)c1cc(Cl)c(OC2CCCC2)c(Cl)c1.[Li+].[OH-]
InChIInChI=1S/C13H14Cl2O3.C12H12Cl2O3.Li.H2O/c1-17-13(16)8-6-10(14)12(11(15)7-8)18-9-4-2-3-5-9;13-9-5-7(12(15)16)6-10(14)11(9)17-8-3-1-2-4-8;;/h6-7,9H,2-5H2,1H3;5-6,8H,1-4H2,(H,15,16);;1H2/q;;+1;/p-1
InChIKeyFOINKTXQCDPGRN-UHFFFAOYSA-M
MW588.24 g/mol
LogP4.94
Rot. Bonds6

About lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide

lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide (PubChem CID 158093078) has the molecular formula C25H27Cl4LiO7 and a molecular weight of 588.24 g/mol. Its IUPAC name is lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide.

Molecular Properties

Compound Namelithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide
PubChem CID158093078
Molecular FormulaC25H27Cl4LiO7
Molecular Weight588.24 g/mol
Exact Mass586.07
IUPAC Namelithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide
SMILESCOC(=O)c1cc(Cl)c(OC2CCCC2)c(Cl)c1.O=C(O)c1cc(Cl)c(OC2CCCC2)c(Cl)c1.[Li+].[OH-]
InChIInChI=1S/C13H14Cl2O3.C12H12Cl2O3.Li.H2O/c1-17-13(16)8-6-10(14)12(11(15)7-8)18-9-4-2-3-5-9;13-9-5-7(12(15)16)6-10(14)11(9)17-8-3-1-2-4-8;;/h6-7,9H,2-5H2,1H3;5-6,8H,1-4H2,(H,15,16);;1H2/q;;+1;/p-1
InChIKeyFOINKTXQCDPGRN-UHFFFAOYSA-M
XLogP4.94
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.24
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
CID 894048
3-chloro-4,5-dicyclopentyloxybenzoic acid;methyl 4-aminobenzoate;methyl 4-[(3-chloro-4,5-dicyclopentyloxybenzoyl)amino]benzoate
CID 159957850
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid
CID 117481061
3,5-dibromo-4-cyclopentyloxybenzoic acid
CID 107738683
3-chloro-5-cyclohexyloxy-4-methylbenzoic acid;methane;methyl 4-aminobenzoate;methyl 4-[(3-chloro-5-cyclohexyloxy-4-methylbenzoyl)amino]benzoate
CID 162085692
5-chloro-6-cyclopentyloxypyridine-3-carboxylic acid
CID 16796007
methyl 3-chloro-4-(cyclobutylamino)-5-methoxybenzoate
CID 123475225
methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate
CID 117053281
lithium;dimethyl 5-hydroxybenzene-1,3-dicarboxylate;5-hydroxybenzene-1,3-dicarboxylic acid;hydroxide
CID 157422801
methyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate
CID 139617757
methyl 3-amino-5-chloro-4-(cyclohexylamino)benzoate
CID 56773060
2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117484437

Frequently Asked Questions

What is the IUPAC name of lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide?
The IUPAC name of lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide (CID 158093078) is lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide.
What is the SMILES notation for lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide?
The canonical SMILES for lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide is COC(=O)c1cc(Cl)c(OC2CCCC2)c(Cl)c1.O=C(O)c1cc(Cl)c(OC2CCCC2)c(Cl)c1.[Li+].[OH-].
What is the InChIKey of lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide?
The InChIKey is FOINKTXQCDPGRN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H14Cl2O3.C12H12Cl2O3.Li.H2O/c1-17-13(16)8-6-10(14)12(11(15)7-8)18-9-4-2-3-5-9;13-9-5-7(12(15)16)6-10(14)11(9)17-8-3-1-2-4-8;;/h6-7,9H,2-5H2,1H3;5-6,8H,1-4H2,(H,15,16);;1H2/q;;+1;/p-1.
What are the key properties of lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide?
lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide has a molecular weight of 588.24 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide is sourced from PubChem (CID 158093078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).