5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid

C15H12Cl2O3 — CID 63460743

IUPAC5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid
SMILESCCc1cc(Oc2ccc(Cl)cc2C(=O)O)ccc1Cl
InChIInChI=1S/C15H12Cl2O3/c1-2-9-7-11(4-5-13(9)17)20-14-6-3-10(16)8-12(14)15(18)19/h3-8H,2H2,1H3,(H,18,19)
InChIKeyKBFVKJKBQSOIGE-UHFFFAOYSA-N
MW311.16 g/mol
LogP5.05
Rot. Bonds4

About 5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid

5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid (PubChem CID 63460743) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid
PubChem CID63460743
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid
SMILESCCc1cc(Oc2ccc(Cl)cc2C(=O)O)ccc1Cl
InChIInChI=1S/C15H12Cl2O3/c1-2-9-7-11(4-5-13(9)17)20-14-6-3-10(16)8-12(14)15(18)19/h3-8H,2H2,1H3,(H,18,19)
InChIKeyKBFVKJKBQSOIGE-UHFFFAOYSA-N
XLogP5.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.16
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine
CID 114863101
2-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
CID 104501025
3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
CID 60986682
N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine
CID 114856344
5-chloro-2-(4-iodophenoxy)benzoic acid
CID 63459076
5-chloro-2-[4-(2-methylpropanoylamino)phenoxy]benzoic acid
CID 20648118
6-chloro-2-(4-chloro-3-ethylphenoxy)pyridine-3-carboxylic acid
CID 63376630
2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
CID 104706931
2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114896165
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid
CID 113404029

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid?
The IUPAC name of 5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid (CID 63460743) is 5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid.
What is the SMILES notation for 5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid?
The canonical SMILES for 5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid is CCc1cc(Oc2ccc(Cl)cc2C(=O)O)ccc1Cl.
What is the InChIKey of 5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid?
The InChIKey is KBFVKJKBQSOIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-2-9-7-11(4-5-13(9)17)20-14-6-3-10(16)8-12(14)15(18)19/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid?
5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid has a molecular weight of 311.16 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid is sourced from PubChem (CID 63460743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).