1-(4-hydroxyanilino)ethane-1,1-diol

C8H11NO3 — CID 89402783

IUPAC1-(4-hydroxyanilino)ethane-1,1-diol
SMILESCC(O)(O)Nc1ccc(O)cc1
InChIInChI=1S/C8H11NO3/c1-8(11,12)9-6-2-4-7(10)5-3-6/h2-5,9-12H,1H3
InChIKeyPJOCWDASBGCAOJ-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.46
Rot. Bonds2

About 1-(4-hydroxyanilino)ethane-1,1-diol

1-(4-hydroxyanilino)ethane-1,1-diol (PubChem CID 89402783) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(4-hydroxyanilino)ethane-1,1-diol.

Molecular Properties

Compound Name1-(4-hydroxyanilino)ethane-1,1-diol
PubChem CID89402783
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-(4-hydroxyanilino)ethane-1,1-diol
SMILESCC(O)(O)Nc1ccc(O)cc1
InChIInChI=1S/C8H11NO3/c1-8(11,12)9-6-2-4-7(10)5-3-6/h2-5,9-12H,1H3
InChIKeyPJOCWDASBGCAOJ-UHFFFAOYSA-N
XLogP0.46
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxyanilino)propane-1,1-diol
CID 175693749
4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile
CID 160920367
4-(3,3-dimethylbut-1-en-2-ylamino)phenol
CID 130441332
1-(4-hydroxyphenyl)ethane-1,1-diol
CID 137436479
1-(3-methylanilino)ethane-1,1-diol
CID 54318921
4-methylphenol
CID 70549076
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene
CID 143014115
4-(2-methylpropylamino)phenol
CID 15847203
4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621
4-tert-butylphenol;titanium
CID 20801499
4-tert-butylphenol;cobalt
CID 174380967

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyanilino)ethane-1,1-diol?
The IUPAC name of 1-(4-hydroxyanilino)ethane-1,1-diol (CID 89402783) is 1-(4-hydroxyanilino)ethane-1,1-diol.
What is the SMILES notation for 1-(4-hydroxyanilino)ethane-1,1-diol?
The canonical SMILES for 1-(4-hydroxyanilino)ethane-1,1-diol is CC(O)(O)Nc1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyanilino)ethane-1,1-diol?
The InChIKey is PJOCWDASBGCAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-8(11,12)9-6-2-4-7(10)5-3-6/h2-5,9-12H,1H3.
What are the key properties of 1-(4-hydroxyanilino)ethane-1,1-diol?
1-(4-hydroxyanilino)ethane-1,1-diol has a molecular weight of 169.18 g/mol, XLogP of 0.46, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyanilino)ethane-1,1-diol is sourced from PubChem (CID 89402783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).