5-(2-bromo-6-nitrophenoxy)pentan-1-ol

C11H14BrNO4 — CID 81499592

IUPAC5-(2-bromo-6-nitrophenoxy)pentan-1-ol
SMILESO=[N+]([O-])c1cccc(Br)c1OCCCCCO
InChIInChI=1S/C11H14BrNO4/c12-9-5-4-6-10(13(15)16)11(9)17-8-3-1-2-7-14/h4-6,14H,1-3,7-8H2
InChIKeyMPHOMUGECYNUQN-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.90
Rot. Bonds7

About 5-(2-bromo-6-nitrophenoxy)pentan-1-ol

5-(2-bromo-6-nitrophenoxy)pentan-1-ol (PubChem CID 81499592) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 5-(2-bromo-6-nitrophenoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(2-bromo-6-nitrophenoxy)pentan-1-ol
PubChem CID81499592
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name5-(2-bromo-6-nitrophenoxy)pentan-1-ol
SMILESO=[N+]([O-])c1cccc(Br)c1OCCCCCO
InChIInChI=1S/C11H14BrNO4/c12-9-5-4-6-10(13(15)16)11(9)17-8-3-1-2-7-14/h4-6,14H,1-3,7-8H2
InChIKeyMPHOMUGECYNUQN-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'}

Analyze 5-(2-bromo-6-nitrophenoxy)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(2-bromo-6-nitrophenoxy)nonane-1-thiol
CID 105344500
1-bromo-2-(2-chloroethoxy)-3-nitrobenzene
CID 81499939
1-bromo-2-but-3-ynoxy-3-nitrobenzene
CID 81499971
6-(2-bromo-6-nitrophenoxy)-2,2-dimethylhexanoic acid
CID 106714386
3-(2-bromo-6-nitrophenoxy)propanenitrile
CID 81499740
2-amino-4-(2-bromo-6-nitrophenoxy)butanamide
CID 81499980
tert-butyl 3-(2-bromo-6-nitrophenoxy)propanoate
CID 116659250
1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene
CID 81499450
N-[2-(2-bromo-6-nitrophenoxy)ethyl]cyclopropanamine
CID 81499823
1-(2-bromo-6-nitrophenoxy)butan-2-ol
CID 81499204
3-(2-nitrophenoxy)propan-1-ol
CID 18791292
1-bromo-2-(5-chloro-3-methylpentoxy)-3-nitrobenzene
CID 81499560

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-6-nitrophenoxy)pentan-1-ol?
The IUPAC name of 5-(2-bromo-6-nitrophenoxy)pentan-1-ol (CID 81499592) is 5-(2-bromo-6-nitrophenoxy)pentan-1-ol.
What is the SMILES notation for 5-(2-bromo-6-nitrophenoxy)pentan-1-ol?
The canonical SMILES for 5-(2-bromo-6-nitrophenoxy)pentan-1-ol is O=[N+]([O-])c1cccc(Br)c1OCCCCCO.
What is the InChIKey of 5-(2-bromo-6-nitrophenoxy)pentan-1-ol?
The InChIKey is MPHOMUGECYNUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c12-9-5-4-6-10(13(15)16)11(9)17-8-3-1-2-7-14/h4-6,14H,1-3,7-8H2.
What are the key properties of 5-(2-bromo-6-nitrophenoxy)pentan-1-ol?
5-(2-bromo-6-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-6-nitrophenoxy)pentan-1-ol is sourced from PubChem (CID 81499592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).