4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid

C15H21NO3 — CID 106954895

IUPAC4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid
SMILESCCC1CCC(Oc2cc(N)ccc2C(=O)O)CC1
InChIInChI=1S/C15H21NO3/c1-2-10-3-6-12(7-4-10)19-14-9-11(16)5-8-13(14)15(17)18/h5,8-10,12H,2-4,6-7,16H2,1H3,(H,17,18)
InChIKeyYWORIQMOMFKCIV-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.31
Rot. Bonds4

About 4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid

4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid (PubChem CID 106954895) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid.

Molecular Properties

Compound Name4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid
PubChem CID106954895
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid
SMILESCCC1CCC(Oc2cc(N)ccc2C(=O)O)CC1
InChIInChI=1S/C15H21NO3/c1-2-10-3-6-12(7-4-10)19-14-9-11(16)5-8-13(14)15(17)18/h5,8-10,12H,2-4,6-7,16H2,1H3,(H,17,18)
InChIKeyYWORIQMOMFKCIV-UHFFFAOYSA-N
XLogP3.31
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethylcyclohexyl)oxy-4-methylaniline
CID 64749047
3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid
CID 81445886
4-amino-2-(2-cyclobutylethoxy)benzoic acid
CID 106203435
4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114341713
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
4-amino-2-nonoxybenzoic acid
CID 106954713
1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanone
CID 64748296
5-amino-2-[(4-ethylcyclohexyl)amino]benzamide
CID 61468335
5-amino-2-(4-oxocyclohexyl)oxybenzoic acid
CID 117096019
4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid
CID 114245708
3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid
CID 112611895

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid?
The IUPAC name of 4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid (CID 106954895) is 4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid.
What is the SMILES notation for 4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid?
The canonical SMILES for 4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid is CCC1CCC(Oc2cc(N)ccc2C(=O)O)CC1.
What is the InChIKey of 4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid?
The InChIKey is YWORIQMOMFKCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-10-3-6-12(7-4-10)19-14-9-11(16)5-8-13(14)15(17)18/h5,8-10,12H,2-4,6-7,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid?
4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid has a molecular weight of 263.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid is sourced from PubChem (CID 106954895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).