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

C20H16N2O4 — CID 139999193

IUPAC2-amino-4-[3-(3-amino-4-hydroxyphenoxy)-2-ethynylphenoxy]phenol
SMILESC#Cc1c(Oc2ccc(O)c(N)c2)cccc1Oc1ccc(O)c(N)c1
InChIInChI=1S/C20H16N2O4/c1-2-14-19(25-12-6-8-17(23)15(21)10-12)4-3-5-20(14)26-13-7-9-18(24)16(22)11-13/h1,3-11,23-24H,21-22H2
InChIKeyRJHNFUSEFROMDD-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.83
Rot. Bonds4

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

2-amino-4-[3-(3-amino-4-hydroxyphenoxy)-2-ethynylphenoxy]phenol (PubChem CID 139999193) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-amino-4-[3-(3-amino-4-hydroxyphenoxy)-2-ethynylphenoxy]phenol.

Molecular Properties

Compound Name2-amino-4-[3-(3-amino-4-hydroxyphenoxy)-2-ethynylphenoxy]phenol
PubChem CID139999193
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name2-amino-4-[3-(3-amino-4-hydroxyphenoxy)-2-ethynylphenoxy]phenol
SMILESC#Cc1c(Oc2ccc(O)c(N)c2)cccc1Oc1ccc(O)c(N)c1
InChIInChI=1S/C20H16N2O4/c1-2-14-19(25-12-6-8-17(23)15(21)10-12)4-3-5-20(14)26-13-7-9-18(24)16(22)11-13/h1,3-11,23-24H,21-22H2
InChIKeyRJHNFUSEFROMDD-UHFFFAOYSA-N
XLogP3.83
TPSA110.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.83
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[6-(3-amino-4-hydroxyphenoxy)-5,8-diethynylnaphthalen-2-yl]oxyphenol
CID 139999277
2-amino-4-[5-(3-amino-4-hydroxyphenoxy)-3,4,7,8-tetrakis(2-phenylethynyl)naphthalen-1-yl]oxyphenol
CID 139999397
2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol
CID 129308077
2-amino-4-[1-[2-(3-amino-4-hydroxyphenoxy)-6-ethynylnaphthalen-1-yl]naphthalen-2-yl]oxyphenol
CID 139999574
2-amino-4-[5-(3-amino-4-hydroxyphenoxy)-7,8-bis(2-phenylethynyl)naphthalen-1-yl]oxyphenol
CID 139999464
2-amino-4-[6-(3-amino-4-hydroxyphenoxy)-1,5,8-tris(2-phenylethynyl)naphthalen-2-yl]oxyphenol
CID 139999577
2-amino-4-[4-[9-[4-(3-amino-4-hydroxyphenoxy)phenyl]-1,4,5,8-tetraethynylfluoren-9-yl]phenoxy]phenol
CID 139999286
2-amino-4-(4-phenylphenoxy)phenol
CID 141458116
2-amino-4-[5-(3-amino-4-hydroxyphenoxy)-2,6,8-triethynylnaphthalen-1-yl]oxyphenol
CID 139999420
2-amino-4-[6-(3-amino-4-hydroxyphenoxy)-1,8-bis(2-phenylethynyl)naphthalen-2-yl]oxyphenol
CID 139999457
CID 174308979
CID 174308979
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-[3-(3-amino-4-hydroxyphenoxy)-2-ethynylphenoxy]phenol?
The IUPAC name of 2-amino-4-[3-(3-amino-4-hydroxyphenoxy)-2-ethynylphenoxy]phenol (CID 139999193) is 2-amino-4-[3-(3-amino-4-hydroxyphenoxy)-2-ethynylphenoxy]phenol.
What is the SMILES notation for 2-amino-4-[3-(3-amino-4-hydroxyphenoxy)-2-ethynylphenoxy]phenol?
The canonical SMILES for 2-amino-4-[3-(3-amino-4-hydroxyphenoxy)-2-ethynylphenoxy]phenol is C#Cc1c(Oc2ccc(O)c(N)c2)cccc1Oc1ccc(O)c(N)c1.
What is the InChIKey of 2-amino-4-[3-(3-amino-4-hydroxyphenoxy)-2-ethynylphenoxy]phenol?
The InChIKey is RJHNFUSEFROMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-2-14-19(25-12-6-8-17(23)15(21)10-12)4-3-5-20(14)26-13-7-9-18(24)16(22)11-13/h1,3-11,23-24H,21-22H2.
What are the key properties of 2-amino-4-[3-(3-amino-4-hydroxyphenoxy)-2-ethynylphenoxy]phenol?
2-amino-4-[3-(3-amino-4-hydroxyphenoxy)-2-ethynylphenoxy]phenol has a molecular weight of 348.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(3-amino-4-hydroxyphenoxy)-2-ethynylphenoxy]phenol is sourced from PubChem (CID 139999193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).