5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid

C15H19ClO3 — CID 63460526

IUPAC5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid
SMILESCCC1CCCCC1Oc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C15H19ClO3/c1-2-10-5-3-4-6-13(10)19-14-8-7-11(16)9-12(14)15(17)18/h7-10,13H,2-6H2,1H3,(H,17,18)
InChIKeyIKBUFLUMBYKOCU-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.39
Rot. Bonds4

About 5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid

5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid (PubChem CID 63460526) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid
PubChem CID63460526
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid
SMILESCCC1CCCCC1Oc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C15H19ClO3/c1-2-10-5-3-4-6-13(10)19-14-8-7-11(16)9-12(14)15(17)18/h7-10,13H,2-6H2,1H3,(H,17,18)
InChIKeyIKBUFLUMBYKOCU-UHFFFAOYSA-N
XLogP4.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
CID 63862858
5-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 62494620
2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid
CID 107014244
2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid
CID 63862291
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 63094207
4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid
CID 63862114
1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
CID 82967703
5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid
CID 55138471
5-[(2-ethylcyclohexyl)oxymethyl]-2-fluorobenzoic acid
CID 107881104
2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene
CID 55252184
5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114340744

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid?
The IUPAC name of 5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid (CID 63460526) is 5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid.
What is the SMILES notation for 5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid?
The canonical SMILES for 5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid is CCC1CCCCC1Oc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid?
The InChIKey is IKBUFLUMBYKOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c1-2-10-5-3-4-6-13(10)19-14-8-7-11(16)9-12(14)15(17)18/h7-10,13H,2-6H2,1H3,(H,17,18).
What are the key properties of 5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid?
5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid has a molecular weight of 282.77 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid is sourced from PubChem (CID 63460526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).