[4-(bromomethyl)-3-nitrophenyl]methanol

C8H8BrNO3 — CID 139934895

IUPAC[4-(bromomethyl)-3-nitrophenyl]methanol
SMILESO=[N+]([O-])c1cc(CO)ccc1CBr
InChIInChI=1S/C8H8BrNO3/c9-4-7-2-1-6(5-11)3-8(7)10(12)13/h1-3,11H,4-5H2
InChIKeyMMMGCVYTYLBQFK-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.98
Rot. Bonds3

About [4-(bromomethyl)-3-nitrophenyl]methanol

[4-(bromomethyl)-3-nitrophenyl]methanol (PubChem CID 139934895) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is [4-(bromomethyl)-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-(bromomethyl)-3-nitrophenyl]methanol
PubChem CID139934895
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Name[4-(bromomethyl)-3-nitrophenyl]methanol
SMILESO=[N+]([O-])c1cc(CO)ccc1CBr
InChIInChI=1S/C8H8BrNO3/c9-4-7-2-1-6(5-11)3-8(7)10(12)13/h1-3,11H,4-5H2
InChIKeyMMMGCVYTYLBQFK-UHFFFAOYSA-N
XLogP1.98
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(bromomethyl)-2-nitrophenyl]ethanol
CID 68828100
4-(bromomethyl)-1-methyl-2-nitrobenzene;(4-methyl-3-nitrophenyl)methanol;tribromophosphane
CID 161039553
2-[4-(2-hydroxyethyl)-3-nitrophenyl]ethanol;methane
CID 146240647
1,5-bis(bromomethyl)-2,4-dinitrobenzene
CID 3532624
1-[4-(hydroxymethyl)-2-nitrophenyl]ethanone
CID 58723940
4-(bromomethyl)-N-methyl-3-nitrobenzamide;methanamine
CID 158640072
(3-nitro-4-propan-2-yloxyphenyl)methanol
CID 28963964
2-nitro-1,4-bis(nitromethyl)benzene
CID 20531411
1-bromo-3-[3-(bromomethyl)-4-nitrophenyl]propan-2-one
CID 131512960
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]-3-nitrobenzamide
CID 71377223
[4-(bromomethyl)-3-iodophenyl]methanol
CID 58361847

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)-3-nitrophenyl]methanol?
The IUPAC name of [4-(bromomethyl)-3-nitrophenyl]methanol (CID 139934895) is [4-(bromomethyl)-3-nitrophenyl]methanol.
What is the SMILES notation for [4-(bromomethyl)-3-nitrophenyl]methanol?
The canonical SMILES for [4-(bromomethyl)-3-nitrophenyl]methanol is O=[N+]([O-])c1cc(CO)ccc1CBr.
What is the InChIKey of [4-(bromomethyl)-3-nitrophenyl]methanol?
The InChIKey is MMMGCVYTYLBQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c9-4-7-2-1-6(5-11)3-8(7)10(12)13/h1-3,11H,4-5H2.
What are the key properties of [4-(bromomethyl)-3-nitrophenyl]methanol?
[4-(bromomethyl)-3-nitrophenyl]methanol has a molecular weight of 246.06 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)-3-nitrophenyl]methanol is sourced from PubChem (CID 139934895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).