5-(2-bromo-5-nitrophenoxy)pentan-1-ol

C11H14BrNO4 — CID 102975174

IUPAC5-(2-bromo-5-nitrophenoxy)pentan-1-ol
SMILESO=[N+]([O-])c1ccc(Br)c(OCCCCCO)c1
InChIInChI=1S/C11H14BrNO4/c12-10-5-4-9(13(15)16)8-11(10)17-7-3-1-2-6-14/h4-5,8,14H,1-3,6-7H2
InChIKeyWRGKEIFUDVWJSD-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.90
Rot. Bonds7

About 5-(2-bromo-5-nitrophenoxy)pentan-1-ol

5-(2-bromo-5-nitrophenoxy)pentan-1-ol (PubChem CID 102975174) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 5-(2-bromo-5-nitrophenoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(2-bromo-5-nitrophenoxy)pentan-1-ol
PubChem CID102975174
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name5-(2-bromo-5-nitrophenoxy)pentan-1-ol
SMILESO=[N+]([O-])c1ccc(Br)c(OCCCCCO)c1
InChIInChI=1S/C11H14BrNO4/c12-10-5-4-9(13(15)16)8-11(10)17-7-3-1-2-6-14/h4-5,8,14H,1-3,6-7H2
InChIKeyWRGKEIFUDVWJSD-UHFFFAOYSA-N
XLogP2.90
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromo-5-nitrophenoxy)butane-1-sulfonamide
CID 103013076
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CID 86684782
2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine
CID 18980113
1-bromo-2-[2-(3-methoxypropoxy)ethoxy]-4-nitrobenzene
CID 103185215
2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
CID 593462
1-(2-bromo-5-nitrophenoxy)-2-methylpropan-2-ol
CID 102977775
1-(2-bromo-5-nitrophenoxy)propan-2-ol
CID 103011922
6-(2-bromo-5-fluorophenoxy)hexan-1-ol
CID 103867953
6-(5-amino-2-bromophenoxy)hexan-1-ol
CID 107702035
2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone
CID 102975123
(2-bromo-5-nitrophenoxy)methyl-trifluoroboranuide
CID 103013042
1-bromo-2-(2-methylidenebutoxy)-4-nitrobenzene
CID 102975219

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-nitrophenoxy)pentan-1-ol?
The IUPAC name of 5-(2-bromo-5-nitrophenoxy)pentan-1-ol (CID 102975174) is 5-(2-bromo-5-nitrophenoxy)pentan-1-ol.
What is the SMILES notation for 5-(2-bromo-5-nitrophenoxy)pentan-1-ol?
The canonical SMILES for 5-(2-bromo-5-nitrophenoxy)pentan-1-ol is O=[N+]([O-])c1ccc(Br)c(OCCCCCO)c1.
What is the InChIKey of 5-(2-bromo-5-nitrophenoxy)pentan-1-ol?
The InChIKey is WRGKEIFUDVWJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c12-10-5-4-9(13(15)16)8-11(10)17-7-3-1-2-6-14/h4-5,8,14H,1-3,6-7H2.
What are the key properties of 5-(2-bromo-5-nitrophenoxy)pentan-1-ol?
5-(2-bromo-5-nitrophenoxy)pentan-1-ol has a molecular weight of 304.14 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-nitrophenoxy)pentan-1-ol is sourced from PubChem (CID 102975174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).