(4-bromo-2-methylphenyl)methanol

C8H9BrO — CID 22280088

IUPAC(4-bromo-2-methylphenyl)methanol
SMILESCc1cc(Br)ccc1CO
InChIInChI=1S/C8H9BrO/c1-6-4-8(9)3-2-7(6)5-10/h2-4,10H,5H2,1H3
InChIKeyIFKWLKCPUIQXPU-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.25
Rot. Bonds1

About (4-bromo-2-methylphenyl)methanol

(4-bromo-2-methylphenyl)methanol (PubChem CID 22280088) has the molecular formula C8H9BrO and a molecular weight of 201.06 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)methanol
PubChem CID22280088
Molecular FormulaC8H9BrO
Molecular Weight201.06 g/mol
Exact Mass199.98
IUPAC Name(4-bromo-2-methylphenyl)methanol
SMILESCc1cc(Br)ccc1CO
InChIInChI=1S/C8H9BrO/c1-6-4-8(9)3-2-7(6)5-10/h2-4,10H,5H2,1H3
InChIKeyIFKWLKCPUIQXPU-UHFFFAOYSA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)methanol?
The IUPAC name of (4-bromo-2-methylphenyl)methanol (CID 22280088) is (4-bromo-2-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-2-methylphenyl)methanol?
The canonical SMILES for (4-bromo-2-methylphenyl)methanol is Cc1cc(Br)ccc1CO.
What is the InChIKey of (4-bromo-2-methylphenyl)methanol?
The InChIKey is IFKWLKCPUIQXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO/c1-6-4-8(9)3-2-7(6)5-10/h2-4,10H,5H2,1H3.
What are the key properties of (4-bromo-2-methylphenyl)methanol?
(4-bromo-2-methylphenyl)methanol has a molecular weight of 201.06 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)methanol is sourced from PubChem (CID 22280088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).