3-(4-hydroxybutylamino)benzene-1,2-diol

C10H15NO3 — CID 54456176

IUPAC3-(4-hydroxybutylamino)benzene-1,2-diol
SMILESOCCCCNc1cccc(O)c1O
InChIInChI=1S/C10H15NO3/c12-7-2-1-6-11-8-4-3-5-9(13)10(8)14/h3-5,11-14H,1-2,6-7H2
InChIKeyWYIPEIUUKCUHMK-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.28
Rot. Bonds5

About 3-(4-hydroxybutylamino)benzene-1,2-diol

3-(4-hydroxybutylamino)benzene-1,2-diol (PubChem CID 54456176) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(4-hydroxybutylamino)benzene-1,2-diol.

Molecular Properties

Compound Name3-(4-hydroxybutylamino)benzene-1,2-diol
PubChem CID54456176
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(4-hydroxybutylamino)benzene-1,2-diol
SMILESOCCCCNc1cccc(O)c1O
InChIInChI=1S/C10H15NO3/c12-7-2-1-6-11-8-4-3-5-9(13)10(8)14/h3-5,11-14H,1-2,6-7H2
InChIKeyWYIPEIUUKCUHMK-UHFFFAOYSA-N
XLogP1.28
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethylamino)benzene-1,2-diol
CID 70502073
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
CID 139629187
5-(2-fluoroanilino)pentan-1-ol
CID 62227332
4-(2-amino-3-chloroanilino)butan-1-ol
CID 106840311
2-(2-hydroxyethylamino)-6-methylphenol
CID 68893139
4-(2-propan-2-ylanilino)butan-1-ol
CID 54803429
4-(2-phenylmethoxyanilino)butan-1-ol
CID 54803447
5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol
CID 111770367
2-fluoro-6-(5-hydroxypentylamino)benzonitrile
CID 62227529
2-(octadecylamino)-6-phenylphenol
CID 138395030
3-(2-methylanilino)propan-1-ol
CID 18005925

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybutylamino)benzene-1,2-diol?
The IUPAC name of 3-(4-hydroxybutylamino)benzene-1,2-diol (CID 54456176) is 3-(4-hydroxybutylamino)benzene-1,2-diol.
What is the SMILES notation for 3-(4-hydroxybutylamino)benzene-1,2-diol?
The canonical SMILES for 3-(4-hydroxybutylamino)benzene-1,2-diol is OCCCCNc1cccc(O)c1O.
What is the InChIKey of 3-(4-hydroxybutylamino)benzene-1,2-diol?
The InChIKey is WYIPEIUUKCUHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-7-2-1-6-11-8-4-3-5-9(13)10(8)14/h3-5,11-14H,1-2,6-7H2.
What are the key properties of 3-(4-hydroxybutylamino)benzene-1,2-diol?
3-(4-hydroxybutylamino)benzene-1,2-diol has a molecular weight of 197.23 g/mol, XLogP of 1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybutylamino)benzene-1,2-diol is sourced from PubChem (CID 54456176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).