(2-bromo-4-methylphenyl)methanol

C8H9BrO — CID 58230529

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

About (2-bromo-4-methylphenyl)methanol

(2-bromo-4-methylphenyl)methanol (PubChem CID 58230529) has the molecular formula C8H9BrO and a molecular weight of 201.06 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)methanol
PubChem CID58230529
Molecular FormulaC8H9BrO
Molecular Weight201.06 g/mol
Exact Mass199.98
IUPAC Name(2-bromo-4-methylphenyl)methanol
SMILESCc1ccc(CO)c(Br)c1
InChIInChI=1S/C8H9BrO/c1-6-2-3-7(5-10)8(9)4-6/h2-4,10H,5H2,1H3
InChIKeyRAJNCYHWPIQECA-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

Analyze (2-bromo-4-methylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methylbenzyl alcohol
CID 11505
4-Bromobenzyl alcohol
CID 70119
2-Bromobenzyl alcohol
CID 72850
(3-Bromophenyl)(phenyl)methanol
CID 285827
1-(4-Bromophenyl)ethanol
CID 95352
3-Bromobenzyl alcohol
CID 85141
1-(2-Bromophenyl)ethanol
CID 95455
1-(3-Bromophenyl)ethanol
CID 98479
2-(2-Bromophenyl)propan-2-ol
CID 329527
(2-Bromo-4-fluorophenyl)methanol
CID 2773347
1-(3-Bromophenyl)-2,2,2-trifluoroethan-1-ol
CID 23423062
4-Bromo-alpha-propylbenzenemethanol
CID 90739

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)methanol?
The IUPAC name of (2-bromo-4-methylphenyl)methanol (CID 58230529) is (2-bromo-4-methylphenyl)methanol.
What is the SMILES notation for (2-bromo-4-methylphenyl)methanol?
The canonical SMILES for (2-bromo-4-methylphenyl)methanol is Cc1ccc(CO)c(Br)c1.
What is the InChIKey of (2-bromo-4-methylphenyl)methanol?
The InChIKey is RAJNCYHWPIQECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO/c1-6-2-3-7(5-10)8(9)4-6/h2-4,10H,5H2,1H3.
What are the key properties of (2-bromo-4-methylphenyl)methanol?
(2-bromo-4-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 (2-bromo-4-methylphenyl)methanol is sourced from PubChem (CID 58230529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).