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

C13H10BrNO4 — CID 54915296

IUPAC[4-bromo-2-(2-nitrophenoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccccc1Oc1cc(Br)ccc1CO
InChIInChI=1S/C13H10BrNO4/c14-10-6-5-9(8-16)13(7-10)19-12-4-2-1-3-11(12)15(17)18/h1-7,16H,8H2
InChIKeyZWCDNCXLHBLFNY-UHFFFAOYSA-N
MW324.13 g/mol
LogP3.64
Rot. Bonds4

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

[4-bromo-2-(2-nitrophenoxy)phenyl]methanol (PubChem CID 54915296) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is [4-bromo-2-(2-nitrophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-(2-nitrophenoxy)phenyl]methanol
PubChem CID54915296
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC Name[4-bromo-2-(2-nitrophenoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccccc1Oc1cc(Br)ccc1CO
InChIInChI=1S/C13H10BrNO4/c14-10-6-5-9(8-16)13(7-10)19-12-4-2-1-3-11(12)15(17)18/h1-7,16H,8H2
InChIKeyZWCDNCXLHBLFNY-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-(2-nitrophenoxy)phenyl]methanol
CID 54915252
4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene
CID 114673157
4-bromo-1-methyl-2-(2-nitrophenoxy)benzene
CID 107284372
4-bromo-2-(2-nitrophenoxy)benzoic acid
CID 61031019
(4-bromo-2-naphthalen-1-yloxyphenyl)methanol
CID 43174100
1-[5-bromo-2-(chloromethyl)phenoxy]-4-fluoro-2-nitrobenzene
CID 63568399
1-[5-bromo-2-(bromomethyl)phenoxy]-2-methyl-3-nitrobenzene
CID 107088078
[2-[2-(aminomethyl)-5-bromophenoxy]phenyl]methanol
CID 63654318
[4-[2-(hydroxymethyl)phenoxy]-3-nitrophenyl]methanol
CID 63653967
1-[5-bromo-2-(bromomethyl)phenoxy]-4-fluoro-2-nitrobenzene
CID 107088360
4-bromo-2-(2-iodophenoxy)-1-nitrobenzene
CID 65341768
[2-(4-bromo-2-nitrophenoxy)phenyl]methanamine
CID 65431306

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(2-nitrophenoxy)phenyl]methanol?
The IUPAC name of [4-bromo-2-(2-nitrophenoxy)phenyl]methanol (CID 54915296) is [4-bromo-2-(2-nitrophenoxy)phenyl]methanol.
What is the SMILES notation for [4-bromo-2-(2-nitrophenoxy)phenyl]methanol?
The canonical SMILES for [4-bromo-2-(2-nitrophenoxy)phenyl]methanol is O=[N+]([O-])c1ccccc1Oc1cc(Br)ccc1CO.
What is the InChIKey of [4-bromo-2-(2-nitrophenoxy)phenyl]methanol?
The InChIKey is ZWCDNCXLHBLFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/c14-10-6-5-9(8-16)13(7-10)19-12-4-2-1-3-11(12)15(17)18/h1-7,16H,8H2.
What are the key properties of [4-bromo-2-(2-nitrophenoxy)phenyl]methanol?
[4-bromo-2-(2-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 [4-bromo-2-(2-nitrophenoxy)phenyl]methanol is sourced from PubChem (CID 54915296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).