4-[1-[2,2-bis(2-hydroxyethyl)hydrazinyl]ethyl]benzene-1,2-diol

C12H20N2O4 — CID 173195857

IUPAC4-[1-[2,2-bis(2-hydroxyethyl)hydrazinyl]ethyl]benzene-1,2-diol
SMILESCC(NN(CCO)CCO)c1ccc(O)c(O)c1
InChIInChI=1S/C12H20N2O4/c1-9(13-14(4-6-15)5-7-16)10-2-3-11(17)12(18)8-10/h2-3,8-9,13,15-18H,4-7H2,1H3
InChIKeyOMPVPRBUCACPKU-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.05
Rot. Bonds7

About 4-[1-[2,2-bis(2-hydroxyethyl)hydrazinyl]ethyl]benzene-1,2-diol

4-[1-[2,2-bis(2-hydroxyethyl)hydrazinyl]ethyl]benzene-1,2-diol (PubChem CID 173195857) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[1-[2,2-bis(2-hydroxyethyl)hydrazinyl]ethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[1-[2,2-bis(2-hydroxyethyl)hydrazinyl]ethyl]benzene-1,2-diol
PubChem CID173195857
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-[1-[2,2-bis(2-hydroxyethyl)hydrazinyl]ethyl]benzene-1,2-diol
SMILESCC(NN(CCO)CCO)c1ccc(O)c(O)c1
InChIInChI=1S/C12H20N2O4/c1-9(13-14(4-6-15)5-7-16)10-2-3-11(17)12(18)8-10/h2-3,8-9,13,15-18H,4-7H2,1H3
InChIKeyOMPVPRBUCACPKU-UHFFFAOYSA-N
XLogP-0.05
TPSA96.19 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[1-[hydroxy(propyl)amino]propan-2-yl]benzene-1,2-diol
CID 87917729
4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol
CID 24994231
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrate
CID 18674898
4-(3-amino-4-hydroxybutan-2-yl)benzene-1,2-diol
CID 83908050
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71478438
4-hexan-2-ylbenzene-1,2-diol
CID 14595150
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydroiodide
CID 71478439
2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol
CID 29038991
4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol
CID 130033907
sodium;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;chloride
CID 174756001
4-[(1S)-1-hydroxybutyl]benzene-1,2-diol;4-[(1R)-1-hydroxybutyl]benzene-1,2-diol
CID 162227064
4-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]benzene-1,2-diol
CID 71314580

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2,2-bis(2-hydroxyethyl)hydrazinyl]ethyl]benzene-1,2-diol?
The IUPAC name of 4-[1-[2,2-bis(2-hydroxyethyl)hydrazinyl]ethyl]benzene-1,2-diol (CID 173195857) is 4-[1-[2,2-bis(2-hydroxyethyl)hydrazinyl]ethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[1-[2,2-bis(2-hydroxyethyl)hydrazinyl]ethyl]benzene-1,2-diol?
The canonical SMILES for 4-[1-[2,2-bis(2-hydroxyethyl)hydrazinyl]ethyl]benzene-1,2-diol is CC(NN(CCO)CCO)c1ccc(O)c(O)c1.
What is the InChIKey of 4-[1-[2,2-bis(2-hydroxyethyl)hydrazinyl]ethyl]benzene-1,2-diol?
The InChIKey is OMPVPRBUCACPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-9(13-14(4-6-15)5-7-16)10-2-3-11(17)12(18)8-10/h2-3,8-9,13,15-18H,4-7H2,1H3.
What are the key properties of 4-[1-[2,2-bis(2-hydroxyethyl)hydrazinyl]ethyl]benzene-1,2-diol?
4-[1-[2,2-bis(2-hydroxyethyl)hydrazinyl]ethyl]benzene-1,2-diol has a molecular weight of 256.30 g/mol, XLogP of -0.05, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2,2-bis(2-hydroxyethyl)hydrazinyl]ethyl]benzene-1,2-diol is sourced from PubChem (CID 173195857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).