4-(1-hydrazinylethyl)benzene-1,3-diol

C8H12N2O2 — CID 53402211

IUPAC4-(1-hydrazinylethyl)benzene-1,3-diol
SMILESCC(NN)c1ccc(O)cc1O
InChIInChI=1S/C8H12N2O2/c1-5(10-9)7-3-2-6(11)4-8(7)12/h2-5,10-12H,9H2,1H3
InChIKeySJKJCBZTFNWJED-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.62
Rot. Bonds2

About 4-(1-hydrazinylethyl)benzene-1,3-diol

4-(1-hydrazinylethyl)benzene-1,3-diol (PubChem CID 53402211) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-(1-hydrazinylethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(1-hydrazinylethyl)benzene-1,3-diol
PubChem CID53402211
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-(1-hydrazinylethyl)benzene-1,3-diol
SMILESCC(NN)c1ccc(O)cc1O
InChIInChI=1S/C8H12N2O2/c1-5(10-9)7-3-2-6(11)4-8(7)12/h2-5,10-12H,9H2,1H3
InChIKeySJKJCBZTFNWJED-UHFFFAOYSA-N
XLogP0.62
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1-hydrazinylethyl)-3-methylphenol
CID 53402333
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide
CID 43545402
4-(1-anilinoethyl)benzene-1,3-diol
CID 43189993
4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
CID 43151178
4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol
CID 60924783
4-[1-(3,5-dichloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107572336
4-[1-(2,3,5,6-tetrafluoroanilino)ethyl]benzene-1,3-diol
CID 107643564
4-[1-[(2-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 114331579
4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol
CID 43204126
4-[1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]benzene-1,3-diol
CID 81379941
2-[1-(2,4-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567781

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydrazinylethyl)benzene-1,3-diol?
The IUPAC name of 4-(1-hydrazinylethyl)benzene-1,3-diol (CID 53402211) is 4-(1-hydrazinylethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(1-hydrazinylethyl)benzene-1,3-diol?
The canonical SMILES for 4-(1-hydrazinylethyl)benzene-1,3-diol is CC(NN)c1ccc(O)cc1O.
What is the InChIKey of 4-(1-hydrazinylethyl)benzene-1,3-diol?
The InChIKey is SJKJCBZTFNWJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(10-9)7-3-2-6(11)4-8(7)12/h2-5,10-12H,9H2,1H3.
What are the key properties of 4-(1-hydrazinylethyl)benzene-1,3-diol?
4-(1-hydrazinylethyl)benzene-1,3-diol has a molecular weight of 168.20 g/mol, XLogP of 0.62, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydrazinylethyl)benzene-1,3-diol is sourced from PubChem (CID 53402211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).