5-(4-anilinophenoxy)pentanoic acid

C17H19NO3 — CID 43519556

IUPAC5-(4-anilinophenoxy)pentanoic acid
SMILESO=C(O)CCCCOc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c19-17(20)8-4-5-13-21-16-11-9-15(10-12-16)18-14-6-2-1-3-7-14/h1-3,6-7,9-12,18H,4-5,8,13H2,(H,19,20)
InChIKeyOAZHEEIRYNFFQU-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.06
Rot. Bonds8

About 5-(4-anilinophenoxy)pentanoic acid

5-(4-anilinophenoxy)pentanoic acid (PubChem CID 43519556) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-(4-anilinophenoxy)pentanoic acid.

Molecular Properties

Compound Name5-(4-anilinophenoxy)pentanoic acid
PubChem CID43519556
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name5-(4-anilinophenoxy)pentanoic acid
SMILESO=C(O)CCCCOc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c19-17(20)8-4-5-13-21-16-11-9-15(10-12-16)18-14-6-2-1-3-7-14/h1-3,6-7,9-12,18H,4-5,8,13H2,(H,19,20)
InChIKeyOAZHEEIRYNFFQU-UHFFFAOYSA-N
XLogP4.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-phenoxynonanoic acid
CID 15887638
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119
7-(4-phenylmethoxyphenoxy)heptanoic acid
CID 66930866
8-(4-phenylmethoxyphenoxy)octanoic acid
CID 67165389
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221
5-(4-iodophenoxy)pentanoic acid
CID 22915460
4-(2-methoxyethoxy)-N-phenylaniline
CID 54357885
4-(7-carboxyheptoxy)benzoic acid
CID 54128004
6-(4-aminophenoxy)hexanoic acid
CID 3028577
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
7-[4-[[4-(carboxymethoxy)-6-phenylpyrimidin-2-yl]amino]phenoxy]heptanoic acid
CID 10367223

Frequently Asked Questions

What is the IUPAC name of 5-(4-anilinophenoxy)pentanoic acid?
The IUPAC name of 5-(4-anilinophenoxy)pentanoic acid (CID 43519556) is 5-(4-anilinophenoxy)pentanoic acid.
What is the SMILES notation for 5-(4-anilinophenoxy)pentanoic acid?
The canonical SMILES for 5-(4-anilinophenoxy)pentanoic acid is O=C(O)CCCCOc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 5-(4-anilinophenoxy)pentanoic acid?
The InChIKey is OAZHEEIRYNFFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-17(20)8-4-5-13-21-16-11-9-15(10-12-16)18-14-6-2-1-3-7-14/h1-3,6-7,9-12,18H,4-5,8,13H2,(H,19,20).
What are the key properties of 5-(4-anilinophenoxy)pentanoic acid?
5-(4-anilinophenoxy)pentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-anilinophenoxy)pentanoic acid is sourced from PubChem (CID 43519556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).