2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol

C24H20N2O4 — CID 129308077

IUPAC2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol
SMILESNc1cc(Oc2cccc(-c3ccccc3)c2Oc2ccc(O)c(N)c2)ccc1O
InChIInChI=1S/C24H20N2O4/c25-19-13-16(9-11-21(19)27)29-23-8-4-7-18(15-5-2-1-3-6-15)24(23)30-17-10-12-22(28)20(26)14-17/h1-14,27-28H,25-26H2
InChIKeyYYVZHABAWMHJSR-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.51
Rot. Bonds5

About 2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol

2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol (PubChem CID 129308077) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol.

Molecular Properties

Compound Name2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol
PubChem CID129308077
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol
SMILESNc1cc(Oc2cccc(-c3ccccc3)c2Oc2ccc(O)c(N)c2)ccc1O
InChIInChI=1S/C24H20N2O4/c25-19-13-16(9-11-21(19)27)29-23-8-4-7-18(15-5-2-1-3-6-15)24(23)30-17-10-12-22(28)20(26)14-17/h1-14,27-28H,25-26H2
InChIKeyYYVZHABAWMHJSR-UHFFFAOYSA-N
XLogP5.51
TPSA110.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(4-phenylphenoxy)phenol
CID 141458116
2-amino-4-[3-(3-amino-4-hydroxyphenoxy)-2-ethynylphenoxy]phenol
CID 139999193
2-amino-4-(2-phenylphenoxy)benzoic acid
CID 175030921
2-phenoxy-3-phenylaniline
CID 68786698
2-amino-4-[5-(3-amino-4-hydroxyphenoxy)-7,8-bis(2-phenylethynyl)naphthalen-1-yl]oxyphenol
CID 139999464
3-[2-(3-carboxyphenoxy)-3-(3-phenylphenyl)phenoxy]benzoic acid
CID 141049278
2-amino-4-[5-(3-amino-4-hydroxyphenoxy)-3,4,7,8-tetrakis(2-phenylethynyl)naphthalen-1-yl]oxyphenol
CID 139999397
2-phenoxy-1-[2-phenoxy-3-(2-phenylphenyl)phenoxy]-3-(2-phenylphenyl)benzene
CID 172810146
2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid
CID 141051376
2-amino-4-[6-(3-amino-4-hydroxyphenoxy)-1,5,8-tris(2-phenylethynyl)naphthalen-2-yl]oxyphenol
CID 139999577
2,3,4-tris(2-phenylphenoxy)phenol
CID 67179055
2-amino-4-[6-(3-amino-4-hydroxyphenoxy)-4,8-bis(2-phenylethynyl)naphthalen-2-yl]oxyphenol
CID 139999304

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol?
The IUPAC name of 2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol (CID 129308077) is 2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol.
What is the SMILES notation for 2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol?
The canonical SMILES for 2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol is Nc1cc(Oc2cccc(-c3ccccc3)c2Oc2ccc(O)c(N)c2)ccc1O.
What is the InChIKey of 2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol?
The InChIKey is YYVZHABAWMHJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c25-19-13-16(9-11-21(19)27)29-23-8-4-7-18(15-5-2-1-3-6-15)24(23)30-17-10-12-22(28)20(26)14-17/h1-14,27-28H,25-26H2.
What are the key properties of 2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol?
2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol has a molecular weight of 400.43 g/mol, XLogP of 5.51, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol is sourced from PubChem (CID 129308077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).