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

C8H8BrNO3 — CID 130776681

IUPAC(3-bromo-6-methyl-2-nitrophenyl)methanol
SMILESCc1ccc(Br)c([N+](=O)[O-])c1CO
InChIInChI=1S/C8H8BrNO3/c1-5-2-3-7(9)8(10(12)13)6(5)4-11/h2-3,11H,4H2,1H3
InChIKeyZSJTYCUVSLRXOY-UHFFFAOYSA-N
MW246.06 g/mol
LogP2.16
Rot. Bonds2

About (3-bromo-6-methyl-2-nitrophenyl)methanol

(3-bromo-6-methyl-2-nitrophenyl)methanol (PubChem CID 130776681) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is (3-bromo-6-methyl-2-nitrophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-6-methyl-2-nitrophenyl)methanol
PubChem CID130776681
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Name(3-bromo-6-methyl-2-nitrophenyl)methanol
SMILESCc1ccc(Br)c([N+](=O)[O-])c1CO
InChIInChI=1S/C8H8BrNO3/c1-5-2-3-7(9)8(10(12)13)6(5)4-11/h2-3,11H,4H2,1H3
InChIKeyZSJTYCUVSLRXOY-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

methyl 2-(3-bromo-6-methyl-2-nitrophenyl)acetate
CID 134634977
3-bromo-6-methyl-2-nitroaniline
CID 84726344
(2-chloro-6-methyl-3-nitrophenyl)methanol
CID 130826389
(3,4-dimethyl-2-nitrophenyl)methanol
CID 130867143
6-bromo-3-methyl-2-nitrobenzoyl chloride
CID 130787895
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
4-bromo-3-nitro-2-propylbenzoic acid
CID 70403385
1,2,4-tribromo-3-nitrobenzene
CID 118837685
2-(bromomethyl)-1-methyl-3-nitro-4-(trifluoromethyl)benzene
CID 131325567
1-(3,6-dibromo-2-nitrophenyl)ethanone
CID 171005207
(4-bromo-2-methyl-6-nitrophenyl)methanol
CID 118806075
1-bromo-3,4-dichloro-2-nitrobenzene
CID 118813548

Frequently Asked Questions

What is the IUPAC name of (3-bromo-6-methyl-2-nitrophenyl)methanol?
The IUPAC name of (3-bromo-6-methyl-2-nitrophenyl)methanol (CID 130776681) is (3-bromo-6-methyl-2-nitrophenyl)methanol.
What is the SMILES notation for (3-bromo-6-methyl-2-nitrophenyl)methanol?
The canonical SMILES for (3-bromo-6-methyl-2-nitrophenyl)methanol is Cc1ccc(Br)c([N+](=O)[O-])c1CO.
What is the InChIKey of (3-bromo-6-methyl-2-nitrophenyl)methanol?
The InChIKey is ZSJTYCUVSLRXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-5-2-3-7(9)8(10(12)13)6(5)4-11/h2-3,11H,4H2,1H3.
What are the key properties of (3-bromo-6-methyl-2-nitrophenyl)methanol?
(3-bromo-6-methyl-2-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 (3-bromo-6-methyl-2-nitrophenyl)methanol is sourced from PubChem (CID 130776681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).