4-bromo-2-nitro-1-phenylmethoxybenzene

C13H10BrNO3 — CID 11278242

IUPAC4-bromo-2-nitro-1-phenylmethoxybenzene
SMILESO=[N+]([O-])c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C13H10BrNO3/c14-11-6-7-13(12(8-11)15(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyHUELJXGNXNSEQJ-UHFFFAOYSA-N
MW308.13 g/mol
LogP3.94
Rot. Bonds4

About 4-bromo-2-nitro-1-phenylmethoxybenzene

4-bromo-2-nitro-1-phenylmethoxybenzene (PubChem CID 11278242) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is 4-bromo-2-nitro-1-phenylmethoxybenzene.

Molecular Properties

Compound Name4-bromo-2-nitro-1-phenylmethoxybenzene
PubChem CID11278242
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Name4-bromo-2-nitro-1-phenylmethoxybenzene
SMILESO=[N+]([O-])c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C13H10BrNO3/c14-11-6-7-13(12(8-11)15(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyHUELJXGNXNSEQJ-UHFFFAOYSA-N
XLogP3.94
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-bromo-1-[(3-bromophenyl)methoxy]-2-nitrobenzene
CID 65431310
4-bromo-1-[(4-methylphenyl)methoxy]-2-nitrobenzene
CID 143874994
4-bromo-1-[(4-tert-butylphenyl)methoxy]-2-nitrobenzene
CID 59820827
(3-nitro-4-phenylmethoxyphenyl)methanamine
CID 43319706
bis(3-nitro-4-phenylmethoxyphenyl)methanone
CID 21234669
4-[(4-bromo-2-nitrophenoxy)methyl]-2-chloropyridine
CID 65429777
N-[(3-nitro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine
CID 69126091
3-nitro-4-phenylmethoxybenzenediazonium
CID 46187995
(2R)-2-bromo-2-(3-nitro-4-phenylmethoxyphenyl)ethanol
CID 70144618
4-bromo-2-nitro-1-[(E)-3-phenylprop-2-enoxy]benzene
CID 63462553
4-bromo-1-nitro-2-(2-phenylmethoxyethoxy)benzene
CID 122504329
5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine
CID 166176140

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-nitro-1-phenylmethoxybenzene?
The IUPAC name of 4-bromo-2-nitro-1-phenylmethoxybenzene (CID 11278242) is 4-bromo-2-nitro-1-phenylmethoxybenzene.
What is the SMILES notation for 4-bromo-2-nitro-1-phenylmethoxybenzene?
The canonical SMILES for 4-bromo-2-nitro-1-phenylmethoxybenzene is O=[N+]([O-])c1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 4-bromo-2-nitro-1-phenylmethoxybenzene?
The InChIKey is HUELJXGNXNSEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c14-11-6-7-13(12(8-11)15(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 4-bromo-2-nitro-1-phenylmethoxybenzene?
4-bromo-2-nitro-1-phenylmethoxybenzene has a molecular weight of 308.13 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-nitro-1-phenylmethoxybenzene is sourced from PubChem (CID 11278242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).