(3-bromo-2,5-dimethylphenyl)methanol

C9H11BrO — CID 10656303

IUPAC(3-bromo-2,5-dimethylphenyl)methanol
SMILESCc1cc(Br)c(C)c(CO)c1
InChIInChI=1S/C9H11BrO/c1-6-3-8(5-11)7(2)9(10)4-6/h3-4,11H,5H2,1-2H3
InChIKeyJFJVXKYARHQXHL-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.56
Rot. Bonds1

About (3-bromo-2,5-dimethylphenyl)methanol

(3-bromo-2,5-dimethylphenyl)methanol (PubChem CID 10656303) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is (3-bromo-2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2,5-dimethylphenyl)methanol
PubChem CID10656303
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name(3-bromo-2,5-dimethylphenyl)methanol
SMILESCc1cc(Br)c(C)c(CO)c1
InChIInChI=1S/C9H11BrO/c1-6-3-8(5-11)7(2)9(10)4-6/h3-4,11H,5H2,1-2H3
InChIKeyJFJVXKYARHQXHL-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,5-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-2,5-dimethylphenyl)methanol (CID 10656303) is (3-bromo-2,5-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-2,5-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-2,5-dimethylphenyl)methanol is Cc1cc(Br)c(C)c(CO)c1.
What is the InChIKey of (3-bromo-2,5-dimethylphenyl)methanol?
The InChIKey is JFJVXKYARHQXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-6-3-8(5-11)7(2)9(10)4-6/h3-4,11H,5H2,1-2H3.
What are the key properties of (3-bromo-2,5-dimethylphenyl)methanol?
(3-bromo-2,5-dimethylphenyl)methanol has a molecular weight of 215.09 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,5-dimethylphenyl)methanol is sourced from PubChem (CID 10656303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).