4-(2-propan-2-yloxyanilino)benzoic acid

C16H17NO3 — CID 82535891

IUPAC4-(2-propan-2-yloxyanilino)benzoic acid
SMILESCC(C)Oc1ccccc1Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H17NO3/c1-11(2)20-15-6-4-3-5-14(15)17-13-9-7-12(8-10-13)16(18)19/h3-11,17H,1-2H3,(H,18,19)
InChIKeyXEURYTJPMJEYTQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.92
Rot. Bonds5

About 4-(2-propan-2-yloxyanilino)benzoic acid

4-(2-propan-2-yloxyanilino)benzoic acid (PubChem CID 82535891) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(2-propan-2-yloxyanilino)benzoic acid.

Molecular Properties

Compound Name4-(2-propan-2-yloxyanilino)benzoic acid
PubChem CID82535891
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-(2-propan-2-yloxyanilino)benzoic acid
SMILESCC(C)Oc1ccccc1Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H17NO3/c1-11(2)20-15-6-4-3-5-14(15)17-13-9-7-12(8-10-13)16(18)19/h3-11,17H,1-2H3,(H,18,19)
InChIKeyXEURYTJPMJEYTQ-UHFFFAOYSA-N
XLogP3.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(trifluoromethoxy)anilino]benzoic acid
CID 62232189
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline
CID 117027387
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
1-[4-[[4-(2-propan-2-yloxyanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905111
1-[4-[[3-(2-propan-2-yloxyanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112967821
N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide
CID 112987807
6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid
CID 82488459
methyl 4-[[4-(2-propan-2-yloxyanilino)pyrimidin-2-yl]amino]benzoate
CID 112905116
methyl 4-[[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]amino]benzoate
CID 112931067
methyl 4-[[5-(2-propan-2-yloxyanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112967786
N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109198964

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxyanilino)benzoic acid?
The IUPAC name of 4-(2-propan-2-yloxyanilino)benzoic acid (CID 82535891) is 4-(2-propan-2-yloxyanilino)benzoic acid.
What is the SMILES notation for 4-(2-propan-2-yloxyanilino)benzoic acid?
The canonical SMILES for 4-(2-propan-2-yloxyanilino)benzoic acid is CC(C)Oc1ccccc1Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-propan-2-yloxyanilino)benzoic acid?
The InChIKey is XEURYTJPMJEYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(2)20-15-6-4-3-5-14(15)17-13-9-7-12(8-10-13)16(18)19/h3-11,17H,1-2H3,(H,18,19).
What are the key properties of 4-(2-propan-2-yloxyanilino)benzoic acid?
4-(2-propan-2-yloxyanilino)benzoic acid has a molecular weight of 271.32 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxyanilino)benzoic acid is sourced from PubChem (CID 82535891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).