(6-bromo-3-methoxy-2-methylphenyl)methanol

C9H11BrO2 — CID 66545090

IUPAC(6-bromo-3-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(Br)c(CO)c1C
InChIInChI=1S/C9H11BrO2/c1-6-7(5-11)8(10)3-4-9(6)12-2/h3-4,11H,5H2,1-2H3
InChIKeyOHRSMCHEHNKULS-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.26
Rot. Bonds2

About (6-bromo-3-methoxy-2-methylphenyl)methanol

(6-bromo-3-methoxy-2-methylphenyl)methanol (PubChem CID 66545090) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is (6-bromo-3-methoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name(6-bromo-3-methoxy-2-methylphenyl)methanol
PubChem CID66545090
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name(6-bromo-3-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(Br)c(CO)c1C
InChIInChI=1S/C9H11BrO2/c1-6-7(5-11)8(10)3-4-9(6)12-2/h3-4,11H,5H2,1-2H3
InChIKeyOHRSMCHEHNKULS-UHFFFAOYSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-methoxy-2-methylphenyl)methanol?
The IUPAC name of (6-bromo-3-methoxy-2-methylphenyl)methanol (CID 66545090) is (6-bromo-3-methoxy-2-methylphenyl)methanol.
What is the SMILES notation for (6-bromo-3-methoxy-2-methylphenyl)methanol?
The canonical SMILES for (6-bromo-3-methoxy-2-methylphenyl)methanol is COc1ccc(Br)c(CO)c1C.
What is the InChIKey of (6-bromo-3-methoxy-2-methylphenyl)methanol?
The InChIKey is OHRSMCHEHNKULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-6-7(5-11)8(10)3-4-9(6)12-2/h3-4,11H,5H2,1-2H3.
What are the key properties of (6-bromo-3-methoxy-2-methylphenyl)methanol?
(6-bromo-3-methoxy-2-methylphenyl)methanol has a molecular weight of 231.09 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-methoxy-2-methylphenyl)methanol is sourced from PubChem (CID 66545090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).