bis(4-(3-aminophenoxy)phenol);propane

C27H30N2O4 — CID 160970916

IUPACbis(4-(3-aminophenoxy)phenol);propane
SMILESCCC.Nc1cccc(Oc2ccc(O)cc2)c1.Nc1cccc(Oc2ccc(O)cc2)c1
InChIInChI=1S/2C12H11NO2.C3H8/c2*13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11;1-3-2/h2*1-8,14H,13H2;3H2,1-2H3
InChIKeySYFWBFPSRUFYEJ-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.95
Rot. Bonds4

About bis(4-(3-aminophenoxy)phenol);propane

bis(4-(3-aminophenoxy)phenol);propane (PubChem CID 160970916) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is bis(4-(3-aminophenoxy)phenol);propane.

Molecular Properties

Compound Namebis(4-(3-aminophenoxy)phenol);propane
PubChem CID160970916
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC Namebis(4-(3-aminophenoxy)phenol);propane
SMILESCCC.Nc1cccc(Oc2ccc(O)cc2)c1.Nc1cccc(Oc2ccc(O)cc2)c1
InChIInChI=1S/2C12H11NO2.C3H8/c2*13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11;1-3-2/h2*1-8,14H,13H2;3H2,1-2H3
InChIKeySYFWBFPSRUFYEJ-UHFFFAOYSA-N
XLogP6.95
TPSA110.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminophenoxy)phenol;butane
CID 157302455
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-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
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 bis(4-(3-aminophenoxy)phenol);propane?
The IUPAC name of bis(4-(3-aminophenoxy)phenol);propane (CID 160970916) is bis(4-(3-aminophenoxy)phenol);propane.
What is the SMILES notation for bis(4-(3-aminophenoxy)phenol);propane?
The canonical SMILES for bis(4-(3-aminophenoxy)phenol);propane is CCC.Nc1cccc(Oc2ccc(O)cc2)c1.Nc1cccc(Oc2ccc(O)cc2)c1.
What is the InChIKey of bis(4-(3-aminophenoxy)phenol);propane?
The InChIKey is SYFWBFPSRUFYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11NO2.C3H8/c2*13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11;1-3-2/h2*1-8,14H,13H2;3H2,1-2H3.
What are the key properties of bis(4-(3-aminophenoxy)phenol);propane?
bis(4-(3-aminophenoxy)phenol);propane has a molecular weight of 446.55 g/mol, XLogP of 6.95, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(3-aminophenoxy)phenol);propane is sourced from PubChem (CID 160970916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).