[5-bromo-2-(4-nitrophenoxy)phenyl]methanol

C13H10BrNO4 — CID 103600418

IUPAC[5-bromo-2-(4-nitrophenoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Br)cc2CO)cc1
InChIInChI=1S/C13H10BrNO4/c14-10-1-6-13(9(7-10)8-16)19-12-4-2-11(3-5-12)15(17)18/h1-7,16H,8H2
InChIKeyDZYCJIDQXLNHEE-UHFFFAOYSA-N
MW324.13 g/mol
LogP3.64
Rot. Bonds4

About [5-bromo-2-(4-nitrophenoxy)phenyl]methanol

[5-bromo-2-(4-nitrophenoxy)phenyl]methanol (PubChem CID 103600418) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is [5-bromo-2-(4-nitrophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(4-nitrophenoxy)phenyl]methanol
PubChem CID103600418
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC Name[5-bromo-2-(4-nitrophenoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Br)cc2CO)cc1
InChIInChI=1S/C13H10BrNO4/c14-10-1-6-13(9(7-10)8-16)19-12-4-2-11(3-5-12)15(17)18/h1-7,16H,8H2
InChIKeyDZYCJIDQXLNHEE-UHFFFAOYSA-N
XLogP3.64
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 53.64
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

[2-(4-bromo-2-methylphenoxy)-5-nitrophenyl]methanol
CID 63216881
[2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol
CID 43622036
[2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472893
[5-bromo-2-(3-bromophenoxy)phenyl]methanol
CID 114061472
[2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol
CID 82716426
[2-nitro-5-(4-nitrophenoxy)phenyl]methanol
CID 106546897
[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol
CID 103010830
2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
CID 104707690
2-(chloromethyl)-4-fluoro-1-(4-nitrophenoxy)benzene
CID 54915564
2-(bromomethyl)-1-(3-bromophenoxy)-4-nitrobenzene
CID 107087113
[2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol
CID 116793025
[2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 62097810

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(4-nitrophenoxy)phenyl]methanol?
The IUPAC name of [5-bromo-2-(4-nitrophenoxy)phenyl]methanol (CID 103600418) is [5-bromo-2-(4-nitrophenoxy)phenyl]methanol.
What is the SMILES notation for [5-bromo-2-(4-nitrophenoxy)phenyl]methanol?
The canonical SMILES for [5-bromo-2-(4-nitrophenoxy)phenyl]methanol is O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2CO)cc1.
What is the InChIKey of [5-bromo-2-(4-nitrophenoxy)phenyl]methanol?
The InChIKey is DZYCJIDQXLNHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/c14-10-1-6-13(9(7-10)8-16)19-12-4-2-11(3-5-12)15(17)18/h1-7,16H,8H2.
What are the key properties of [5-bromo-2-(4-nitrophenoxy)phenyl]methanol?
[5-bromo-2-(4-nitrophenoxy)phenyl]methanol has a molecular weight of 324.13 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(4-nitrophenoxy)phenyl]methanol is sourced from PubChem (CID 103600418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).