5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid

C15H21NO3 — CID 114341713

IUPAC5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
SMILESCC1(C)CCC(Oc2ccc(N)cc2C(=O)O)CC1
InChIInChI=1S/C15H21NO3/c1-15(2)7-5-11(6-8-15)19-13-4-3-10(16)9-12(13)14(17)18/h3-4,9,11H,5-8,16H2,1-2H3,(H,17,18)
InChIKeyOVRGPOOHQNTLNB-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.31
Rot. Bonds3

About 5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid

5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid (PubChem CID 114341713) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid.

Molecular Properties

Compound Name5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
PubChem CID114341713
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
SMILESCC1(C)CCC(Oc2ccc(N)cc2C(=O)O)CC1
InChIInChI=1S/C15H21NO3/c1-15(2)7-5-11(6-8-15)19-13-4-3-10(16)9-12(13)14(17)18/h3-4,9,11H,5-8,16H2,1-2H3,(H,17,18)
InChIKeyOVRGPOOHQNTLNB-UHFFFAOYSA-N
XLogP3.31
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114340744
2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114341710
5-amino-2-(4-oxocyclohexyl)oxybenzoic acid
CID 117096019
5-amino-2-(3-hydroxycyclohexyl)oxybenzoic acid
CID 117096010
5-amino-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzoic acid
CID 117096026
5-amino-2-(thietan-3-yloxy)benzoic acid
CID 84689823
5-amino-2-cyclohexyloxybenzamide
CID 55125066
5-bromo-2-(4,4-dimethylcyclohexyl)oxybenzenecarbothioamide
CID 114892302
4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid
CID 106954895
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
1-[4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]ethanone
CID 114341240
2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide
CID 114341723

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid?
The IUPAC name of 5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid (CID 114341713) is 5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid.
What is the SMILES notation for 5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid?
The canonical SMILES for 5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid is CC1(C)CCC(Oc2ccc(N)cc2C(=O)O)CC1.
What is the InChIKey of 5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid?
The InChIKey is OVRGPOOHQNTLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2)7-5-11(6-8-15)19-13-4-3-10(16)9-12(13)14(17)18/h3-4,9,11H,5-8,16H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid?
5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid has a molecular weight of 263.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid is sourced from PubChem (CID 114341713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).