4-bromo-2-(1-hydroxyethyl)-6-nitrophenol

C8H8BrNO4 — CID 69261586

IUPAC4-bromo-2-(1-hydroxyethyl)-6-nitrophenol
SMILESCC(O)c1cc(Br)cc([N+](=O)[O-])c1O
InChIInChI=1S/C8H8BrNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-4,11-12H,1H3
InChIKeyBSBQIXXMOGJDCZ-UHFFFAOYSA-N
MW262.06 g/mol
LogP2.12
Rot. Bonds2

About 4-bromo-2-(1-hydroxyethyl)-6-nitrophenol

4-bromo-2-(1-hydroxyethyl)-6-nitrophenol (PubChem CID 69261586) has the molecular formula C8H8BrNO4 and a molecular weight of 262.06 g/mol. Its IUPAC name is 4-bromo-2-(1-hydroxyethyl)-6-nitrophenol.

Molecular Properties

Compound Name4-bromo-2-(1-hydroxyethyl)-6-nitrophenol
PubChem CID69261586
Molecular FormulaC8H8BrNO4
Molecular Weight262.06 g/mol
Exact Mass260.96
IUPAC Name4-bromo-2-(1-hydroxyethyl)-6-nitrophenol
SMILESCC(O)c1cc(Br)cc([N+](=O)[O-])c1O
InChIInChI=1S/C8H8BrNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-4,11-12H,1H3
InChIKeyBSBQIXXMOGJDCZ-UHFFFAOYSA-N
XLogP2.12
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(5-bromo-2-methoxy-3-nitrophenyl)ethanol
CID 104890600
2-[(1R)-1-amino-4-methylpentyl]-4-bromo-6-nitrophenol
CID 171214789
2-[(1S,2R)-1-amino-2-hydroxy-3,3-dimethylbutyl]-4-bromo-6-nitrophenol;hydrochloride
CID 171271168
4-bromo-2-[(1S)-1,2-diaminoethyl]-6-nitrophenol;hydrochloride
CID 171214744
1-(5-bromo-2-butan-2-yloxy-3-nitrophenyl)ethanol
CID 116542163
2-[(1S)-1-aminopentyl]-4-bromo-6-nitrophenol
CID 171234390
4-bromo-2-nitro-6-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171295805
(1R)-1-[5-bromo-2-(methoxymethoxy)-3-nitrophenyl]ethanol
CID 104890704
(1R)-1-[5-bromo-2-(3-methylbutoxy)-3-nitrophenyl]ethanol
CID 104890668
1-(5-bromo-2-butoxy-3-nitrophenyl)ethanol
CID 116542092
1-[5-bromo-2-(2-methoxypropoxy)-3-nitrophenyl]ethanol
CID 116542110
ethyl (3S)-3-amino-3-(5-bromo-2-hydroxy-3-nitrophenyl)propanoate;hydrochloride
CID 171234427

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-hydroxyethyl)-6-nitrophenol?
The IUPAC name of 4-bromo-2-(1-hydroxyethyl)-6-nitrophenol (CID 69261586) is 4-bromo-2-(1-hydroxyethyl)-6-nitrophenol.
What is the SMILES notation for 4-bromo-2-(1-hydroxyethyl)-6-nitrophenol?
The canonical SMILES for 4-bromo-2-(1-hydroxyethyl)-6-nitrophenol is CC(O)c1cc(Br)cc([N+](=O)[O-])c1O.
What is the InChIKey of 4-bromo-2-(1-hydroxyethyl)-6-nitrophenol?
The InChIKey is BSBQIXXMOGJDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-4,11-12H,1H3.
What are the key properties of 4-bromo-2-(1-hydroxyethyl)-6-nitrophenol?
4-bromo-2-(1-hydroxyethyl)-6-nitrophenol has a molecular weight of 262.06 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-hydroxyethyl)-6-nitrophenol is sourced from PubChem (CID 69261586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).