(2-bromo-5-methyl-4-nitrophenyl)methanol

C8H8BrNO3 — CID 119024875

IUPAC(2-bromo-5-methyl-4-nitrophenyl)methanol
SMILESCc1cc(CO)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8BrNO3/c1-5-2-6(4-11)7(9)3-8(5)10(12)13/h2-3,11H,4H2,1H3
InChIKeyUUCXYADYKOCFNM-UHFFFAOYSA-N
MW246.06 g/mol
LogP2.16
Rot. Bonds2

About (2-bromo-5-methyl-4-nitrophenyl)methanol

(2-bromo-5-methyl-4-nitrophenyl)methanol (PubChem CID 119024875) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is (2-bromo-5-methyl-4-nitrophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-5-methyl-4-nitrophenyl)methanol
PubChem CID119024875
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Name(2-bromo-5-methyl-4-nitrophenyl)methanol
SMILESCc1cc(CO)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8BrNO3/c1-5-2-6(4-11)7(9)3-8(5)10(12)13/h2-3,11H,4H2,1H3
InChIKeyUUCXYADYKOCFNM-UHFFFAOYSA-N
XLogP2.16
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 52.16
H-Bond Donors ≤ 51
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-5-chloro-2-nitrophenyl)methanol
CID 131289970
2-(2-bromo-5-methyl-4-nitroanilino)propane-1,3-diol
CID 103269521
3-(2-bromo-5-methyl-4-nitroanilino)-2,2-dimethylpropan-1-ol
CID 103269569
2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide
CID 104815612
1-(bromomethyl)-2,4-dimethyl-5-nitrobenzene
CID 131011181
(4-bromo-2-methyl-6-nitrophenyl)methanol
CID 118806075
methyl 2-bromo-5-methyl-4-nitrobenzoate
CID 131297356
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930
[3-[(2-bromo-5-methyl-4-nitroanilino)methyl]phenyl]methanol
CID 103269471
4-(2-bromo-5-methyl-4-nitroanilino)-3-methylbutan-1-ol
CID 103269531
1-ethyl-2,4-dimethyl-5-nitrobenzene
CID 20695705
(2,4,5-trinitrophenyl)methanol
CID 53422846

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methyl-4-nitrophenyl)methanol?
The IUPAC name of (2-bromo-5-methyl-4-nitrophenyl)methanol (CID 119024875) is (2-bromo-5-methyl-4-nitrophenyl)methanol.
What is the SMILES notation for (2-bromo-5-methyl-4-nitrophenyl)methanol?
The canonical SMILES for (2-bromo-5-methyl-4-nitrophenyl)methanol is Cc1cc(CO)c(Br)cc1[N+](=O)[O-].
What is the InChIKey of (2-bromo-5-methyl-4-nitrophenyl)methanol?
The InChIKey is UUCXYADYKOCFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-5-2-6(4-11)7(9)3-8(5)10(12)13/h2-3,11H,4H2,1H3.
What are the key properties of (2-bromo-5-methyl-4-nitrophenyl)methanol?
(2-bromo-5-methyl-4-nitrophenyl)methanol has a molecular weight of 246.06 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methyl-4-nitrophenyl)methanol is sourced from PubChem (CID 119024875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).