4-[1-hydroxy-4-(hydroxyamino)butyl]phenol

C10H15NO3 — CID 91538855

IUPAC4-[1-hydroxy-4-(hydroxyamino)butyl]phenol
SMILESONCCCC(O)c1ccc(O)cc1
InChIInChI=1S/C10H15NO3/c12-9-5-3-8(4-6-9)10(13)2-1-7-11-14/h3-6,10-14H,1-2,7H2
InChIKeyFEFVUQCOPQQCAB-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.18
Rot. Bonds5

About 4-[1-hydroxy-4-(hydroxyamino)butyl]phenol

4-[1-hydroxy-4-(hydroxyamino)butyl]phenol (PubChem CID 91538855) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-[1-hydroxy-4-(hydroxyamino)butyl]phenol.

Molecular Properties

Compound Name4-[1-hydroxy-4-(hydroxyamino)butyl]phenol
PubChem CID91538855
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-[1-hydroxy-4-(hydroxyamino)butyl]phenol
SMILESONCCCC(O)c1ccc(O)cc1
InChIInChI=1S/C10H15NO3/c12-9-5-3-8(4-6-9)10(13)2-1-7-11-14/h3-6,10-14H,1-2,7H2
InChIKeyFEFVUQCOPQQCAB-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-hydroxyphenyl)butane-1,4-diol
CID 23836266
4-(1-hydroxytridecyl)phenol
CID 57120972
(E,7R)-N,7-dihydroxy-7-(4-hydroxyphenyl)hept-2-enamide
CID 23864545
4-[(1S)-2-chloro-1-hydroxyethyl]phenol
CID 93341607
4-[(1R)-2-(butylamino)-1-hydroxyethyl]phenol
CID 2057150
4-(methylamino)-1-(4-methylphenyl)butan-1-ol
CID 23009156
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
4-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol
CID 57252582
2-[(3S)-3-hydroxy-3-(4-hydroxyphenyl)propyl]-3-methylbenzene-1,4-diol
CID 78427699
4-(2-anilino-1-hydroxyethyl)phenol
CID 11701381
4-(ethylamino)-1-phenylbutan-1-ol
CID 23009158

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-4-(hydroxyamino)butyl]phenol?
The IUPAC name of 4-[1-hydroxy-4-(hydroxyamino)butyl]phenol (CID 91538855) is 4-[1-hydroxy-4-(hydroxyamino)butyl]phenol.
What is the SMILES notation for 4-[1-hydroxy-4-(hydroxyamino)butyl]phenol?
The canonical SMILES for 4-[1-hydroxy-4-(hydroxyamino)butyl]phenol is ONCCCC(O)c1ccc(O)cc1.
What is the InChIKey of 4-[1-hydroxy-4-(hydroxyamino)butyl]phenol?
The InChIKey is FEFVUQCOPQQCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-9-5-3-8(4-6-9)10(13)2-1-7-11-14/h3-6,10-14H,1-2,7H2.
What are the key properties of 4-[1-hydroxy-4-(hydroxyamino)butyl]phenol?
4-[1-hydroxy-4-(hydroxyamino)butyl]phenol has a molecular weight of 197.23 g/mol, XLogP of 1.18, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-4-(hydroxyamino)butyl]phenol is sourced from PubChem (CID 91538855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).