4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol

C9H12BrNO2 — CID 130067502

IUPAC4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol
SMILESCC[C@@H](NO)c1cc(Br)ccc1O
InChIInChI=1S/C9H12BrNO2/c1-2-8(11-13)7-5-6(10)3-4-9(7)12/h3-5,8,11-13H,2H2,1H3/t8-/m1/s1
InChIKeyRQLGZJRNTLMANU-MRVPVSSYSA-N
MW246.10 g/mol
LogP2.58
Rot. Bonds3

About 4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol

4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol (PubChem CID 130067502) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol
PubChem CID130067502
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol
SMILESCC[C@@H](NO)c1cc(Br)ccc1O
InChIInChI=1S/C9H12BrNO2/c1-2-8(11-13)7-5-6(10)3-4-9(7)12/h3-5,8,11-13H,2H2,1H3/t8-/m1/s1
InChIKeyRQLGZJRNTLMANU-MRVPVSSYSA-N
XLogP2.58
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 79090589
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4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol
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4-bromo-2-[1-(4-hydroxypentan-2-ylamino)propyl]phenol
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4-bromo-2-[1-(2,2,2-trifluoroethylamino)propyl]phenol
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4-bromo-2-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol
CID 63425315
4-bromo-2-[1-(4-fluoroanilino)propyl]phenol
CID 43194665
2-[1-(5-bromo-2-hydroxyphenyl)propylamino]propanoic acid
CID 54959622
4-bromo-2-[1-(5-bromo-2-fluoroanilino)propyl]phenol
CID 43555358
4-bromo-2-[1-(2-methoxyethylamino)propyl]phenol
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4-bromo-2-[1-[(3-methylcyclobutyl)amino]propyl]phenol
CID 113467135
4-[1-(5-bromo-2-hydroxyphenyl)propylamino]benzoic acid
CID 43321641

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol?
The IUPAC name of 4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol (CID 130067502) is 4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol.
What is the SMILES notation for 4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol?
The canonical SMILES for 4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol is CC[C@@H](NO)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol?
The InChIKey is RQLGZJRNTLMANU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-2-8(11-13)7-5-6(10)3-4-9(7)12/h3-5,8,11-13H,2H2,1H3/t8-/m1/s1.
What are the key properties of 4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol?
4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol has a molecular weight of 246.10 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol is sourced from PubChem (CID 130067502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).