4-(3-aminophenoxy)phenol;butane

C16H21NO2 — CID 157302455

IUPAC4-(3-aminophenoxy)phenol;butane
SMILESCCCC.Nc1cccc(Oc2ccc(O)cc2)c1
InChIInChI=1S/C12H11NO2.C4H10/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11;1-3-4-2/h1-8,14H,13H2;3-4H2,1-2H3
InChIKeyBCBGDFCUCDKHEI-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.57
Rot. Bonds3

About 4-(3-aminophenoxy)phenol;butane

4-(3-aminophenoxy)phenol;butane (PubChem CID 157302455) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(3-aminophenoxy)phenol;butane.

Molecular Properties

Compound Name4-(3-aminophenoxy)phenol;butane
PubChem CID157302455
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-(3-aminophenoxy)phenol;butane
SMILESCCCC.Nc1cccc(Oc2ccc(O)cc2)c1
InChIInChI=1S/C12H11NO2.C4H10/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11;1-3-4-2/h1-8,14H,13H2;3-4H2,1-2H3
InChIKeyBCBGDFCUCDKHEI-UHFFFAOYSA-N
XLogP4.57
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.57
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

bis(4-(3-aminophenoxy)phenol);propane
CID 160970916
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
3-(3-phenoxyphenoxy)aniline
CID 68727404
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
ethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen
CID 145261840
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline
CID 18381163
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3-(4-chloro-3-ethylphenoxy)aniline
CID 11021230
3-[3-[3-[3-[3-(3-aminophenoxy)phenoxy]-2-ethylphenoxy]-2-ethylphenoxy]phenoxy]aniline
CID 22338395

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenoxy)phenol;butane?
The IUPAC name of 4-(3-aminophenoxy)phenol;butane (CID 157302455) is 4-(3-aminophenoxy)phenol;butane.
What is the SMILES notation for 4-(3-aminophenoxy)phenol;butane?
The canonical SMILES for 4-(3-aminophenoxy)phenol;butane is CCCC.Nc1cccc(Oc2ccc(O)cc2)c1.
What is the InChIKey of 4-(3-aminophenoxy)phenol;butane?
The InChIKey is BCBGDFCUCDKHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2.C4H10/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11;1-3-4-2/h1-8,14H,13H2;3-4H2,1-2H3.
What are the key properties of 4-(3-aminophenoxy)phenol;butane?
4-(3-aminophenoxy)phenol;butane has a molecular weight of 259.35 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenoxy)phenol;butane is sourced from PubChem (CID 157302455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).