(5-bromo-2-methylphenyl)methanol

C8H9BrO — CID 12993770

IUPAC(5-bromo-2-methylphenyl)methanol
SMILESCc1ccc(Br)cc1CO
InChIInChI=1S/C8H9BrO/c1-6-2-3-8(9)4-7(6)5-10/h2-4,10H,5H2,1H3
InChIKeyCXASFBKJNJSOAI-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.25
Rot. Bonds1

About (5-bromo-2-methylphenyl)methanol

(5-bromo-2-methylphenyl)methanol (PubChem CID 12993770) has the molecular formula C8H9BrO and a molecular weight of 201.06 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)methanol
PubChem CID12993770
Molecular FormulaC8H9BrO
Molecular Weight201.06 g/mol
Exact Mass199.98
IUPAC Name(5-bromo-2-methylphenyl)methanol
SMILESCc1ccc(Br)cc1CO
InChIInChI=1S/C8H9BrO/c1-6-2-3-8(9)4-7(6)5-10/h2-4,10H,5H2,1H3
InChIKeyCXASFBKJNJSOAI-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 (5-bromo-2-methylphenyl)methanol?
The IUPAC name of (5-bromo-2-methylphenyl)methanol (CID 12993770) is (5-bromo-2-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-methylphenyl)methanol?
The canonical SMILES for (5-bromo-2-methylphenyl)methanol is Cc1ccc(Br)cc1CO.
What is the InChIKey of (5-bromo-2-methylphenyl)methanol?
The InChIKey is CXASFBKJNJSOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO/c1-6-2-3-8(9)4-7(6)5-10/h2-4,10H,5H2,1H3.
What are the key properties of (5-bromo-2-methylphenyl)methanol?
(5-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 (5-bromo-2-methylphenyl)methanol is sourced from PubChem (CID 12993770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).