(4-bromo-2-methyl-6-nitrophenyl)methanol

C8H8BrNO3 — CID 118806075

IUPAC(4-bromo-2-methyl-6-nitrophenyl)methanol
SMILESCc1cc(Br)cc([N+](=O)[O-])c1CO
InChIInChI=1S/C8H8BrNO3/c1-5-2-6(9)3-8(10(12)13)7(5)4-11/h2-3,11H,4H2,1H3
InChIKeyAMBCVORYOYVVQA-UHFFFAOYSA-N
MW246.06 g/mol
LogP2.16
Rot. Bonds2

About (4-bromo-2-methyl-6-nitrophenyl)methanol

(4-bromo-2-methyl-6-nitrophenyl)methanol (PubChem CID 118806075) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is (4-bromo-2-methyl-6-nitrophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methyl-6-nitrophenyl)methanol
PubChem CID118806075
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Name(4-bromo-2-methyl-6-nitrophenyl)methanol
SMILESCc1cc(Br)cc([N+](=O)[O-])c1CO
InChIInChI=1S/C8H8BrNO3/c1-5-2-6(9)3-8(10(12)13)7(5)4-11/h2-3,11H,4H2,1H3
InChIKeyAMBCVORYOYVVQA-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

2-bromo-1-(4-bromo-2-methyl-6-nitrophenyl)ethanone
CID 131371990
2-(4-bromo-2-methyl-6-nitrophenyl)-2-oxoacetic acid
CID 163353838
3-(4-bromo-2-methyl-6-nitroanilino)propane-1,2-diol
CID 168593383
(2-bromo-5-methyl-4-nitrophenyl)methanol
CID 119024875
2-(5-bromo-2-methyl-3-nitrophenyl)acetic acid
CID 53482079
1-(5-bromo-2-methyl-3-nitrophenyl)butan-1-one
CID 121380949
5-bromo-2-ethyl-1-methoxy-3-nitrobenzene
CID 158352726
5-bromo-1-methyl-3-nitro-2-(trifluoromethylsulfanyl)benzene
CID 134629398
1-(4-bromo-2-methyl-6-nitrophenoxy)-3-methylbutan-2-one
CID 79841915
ethyl 2-(4-bromo-2-fluoro-6-nitrophenyl)acetate
CID 134633256
5-(4-bromo-2-methyl-6-nitrophenoxy)pentan-2-one
CID 79844964
ethyl 4-(4-bromo-2-methyl-6-nitrophenoxy)-3-oxobutanoate
CID 79843836

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methyl-6-nitrophenyl)methanol?
The IUPAC name of (4-bromo-2-methyl-6-nitrophenyl)methanol (CID 118806075) is (4-bromo-2-methyl-6-nitrophenyl)methanol.
What is the SMILES notation for (4-bromo-2-methyl-6-nitrophenyl)methanol?
The canonical SMILES for (4-bromo-2-methyl-6-nitrophenyl)methanol is Cc1cc(Br)cc([N+](=O)[O-])c1CO.
What is the InChIKey of (4-bromo-2-methyl-6-nitrophenyl)methanol?
The InChIKey is AMBCVORYOYVVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-5-2-6(9)3-8(10(12)13)7(5)4-11/h2-3,11H,4H2,1H3.
What are the key properties of (4-bromo-2-methyl-6-nitrophenyl)methanol?
(4-bromo-2-methyl-6-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 (4-bromo-2-methyl-6-nitrophenyl)methanol is sourced from PubChem (CID 118806075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).