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

C9H10BrNO4 — CID 103011922

IUPAC1-(2-bromo-5-nitrophenoxy)propan-2-ol
SMILESCC(O)COc1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C9H10BrNO4/c1-6(12)5-15-9-4-7(11(13)14)2-3-8(9)10/h2-4,6,12H,5H2,1H3
InChIKeyBKWZNPSNFCTKKF-UHFFFAOYSA-N
MW276.09 g/mol
LogP2.12
Rot. Bonds4

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

1-(2-bromo-5-nitrophenoxy)propan-2-ol (PubChem CID 103011922) has the molecular formula C9H10BrNO4 and a molecular weight of 276.09 g/mol. Its IUPAC name is 1-(2-bromo-5-nitrophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-nitrophenoxy)propan-2-ol
PubChem CID103011922
Molecular FormulaC9H10BrNO4
Molecular Weight276.09 g/mol
Exact Mass274.98
IUPAC Name1-(2-bromo-5-nitrophenoxy)propan-2-ol
SMILESCC(O)COc1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C9H10BrNO4/c1-6(12)5-15-9-4-7(11(13)14)2-3-8(9)10/h2-4,6,12H,5H2,1H3
InChIKeyBKWZNPSNFCTKKF-UHFFFAOYSA-N
XLogP2.12
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 52.12
H-Bond Donors ≤ 51
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

1-(2-bromo-5-nitrophenoxy)butan-2-ol
CID 102977771
(2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol
CID 106933183
1-(2-bromo-5-nitrophenoxy)-3-(propylamino)propan-2-ol
CID 103009734
2-(2-hydroxypropoxy)-5-nitrobenzaldehyde
CID 60884121
2-[(2-bromo-5-nitrophenoxy)methyl]-3-methylbutane-1-sulfonamide
CID 103013091
1-(2-bromo-5-nitrophenoxy)-2-methylpropan-2-ol
CID 102977775
(2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid
CID 103338288
ethyl 3-(2-bromo-5-nitrophenoxy)-2-(ethylamino)propanoate
CID 103012665
1-bromo-2-(2-methylidenebutoxy)-4-nitrobenzene
CID 102975219
methyl 3-(2-bromo-5-nitrophenoxy)-2-(cyclopropylamino)propanoate
CID 103012255
2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine
CID 18980113
5-(2-bromo-5-nitrophenoxy)pentan-1-ol
CID 102975174

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-nitrophenoxy)propan-2-ol?
The IUPAC name of 1-(2-bromo-5-nitrophenoxy)propan-2-ol (CID 103011922) is 1-(2-bromo-5-nitrophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-nitrophenoxy)propan-2-ol?
The canonical SMILES for 1-(2-bromo-5-nitrophenoxy)propan-2-ol is CC(O)COc1cc([N+](=O)[O-])ccc1Br.
What is the InChIKey of 1-(2-bromo-5-nitrophenoxy)propan-2-ol?
The InChIKey is BKWZNPSNFCTKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO4/c1-6(12)5-15-9-4-7(11(13)14)2-3-8(9)10/h2-4,6,12H,5H2,1H3.
What are the key properties of 1-(2-bromo-5-nitrophenoxy)propan-2-ol?
1-(2-bromo-5-nitrophenoxy)propan-2-ol has a molecular weight of 276.09 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-nitrophenoxy)propan-2-ol is sourced from PubChem (CID 103011922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).