1-(2,4-diaminophenoxy)ethenol

C8H10N2O2 — CID 122504845

IUPAC1-(2,4-diaminophenoxy)ethenol
SMILESC=C(O)Oc1ccc(N)cc1N
InChIInChI=1S/C8H10N2O2/c1-5(11)12-8-3-2-6(9)4-7(8)10/h2-4,11H,1,9-10H2
InChIKeyKWXRNMIMJNBVFW-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.26
Rot. Bonds2

About 1-(2,4-diaminophenoxy)ethenol

1-(2,4-diaminophenoxy)ethenol (PubChem CID 122504845) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(2,4-diaminophenoxy)ethenol.

Molecular Properties

Compound Name1-(2,4-diaminophenoxy)ethenol
PubChem CID122504845
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-(2,4-diaminophenoxy)ethenol
SMILESC=C(O)Oc1ccc(N)cc1N
InChIInChI=1S/C8H10N2O2/c1-5(11)12-8-3-2-6(9)4-7(8)10/h2-4,11H,1,9-10H2
InChIKeyKWXRNMIMJNBVFW-UHFFFAOYSA-N
XLogP1.26
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2,4-diaminophenyl) propanoate
CID 89154714
bis(1-(2,4-diaminophenoxy)ethanol);trihydrochloride
CID 68566061
4-(2,4-diaminophenoxy)phenol
CID 19971372
1-(2,4-diaminophenoxy)ethanol;phenol;dihydrochloride
CID 67853727
4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine
CID 15801088
4-hydroperoxybenzene-1,3-diamine;sulfuric acid
CID 174943515
4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine
CID 159131226
(2,4-diaminophenyl) hexadecanoate
CID 67045818
(2,4-diaminophenyl) decanoate
CID 142660533
(2,4-diaminophenyl) octanoate
CID 142660534
4-[(2,4-diaminophenoxy)-phenylmethoxy]benzene-1,3-diamine
CID 141165191
azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride
CID 175517081

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diaminophenoxy)ethenol?
The IUPAC name of 1-(2,4-diaminophenoxy)ethenol (CID 122504845) is 1-(2,4-diaminophenoxy)ethenol.
What is the SMILES notation for 1-(2,4-diaminophenoxy)ethenol?
The canonical SMILES for 1-(2,4-diaminophenoxy)ethenol is C=C(O)Oc1ccc(N)cc1N.
What is the InChIKey of 1-(2,4-diaminophenoxy)ethenol?
The InChIKey is KWXRNMIMJNBVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5(11)12-8-3-2-6(9)4-7(8)10/h2-4,11H,1,9-10H2.
What are the key properties of 1-(2,4-diaminophenoxy)ethenol?
1-(2,4-diaminophenoxy)ethenol has a molecular weight of 166.18 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diaminophenoxy)ethenol is sourced from PubChem (CID 122504845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).