(3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol

C11H12BrN3O2 — CID 114684704

IUPAC(3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol
SMILESCOc1ccc(C(O)c2cnnn2C)cc1Br
InChIInChI=1S/C11H12BrN3O2/c1-15-9(6-13-14-15)11(16)7-3-4-10(17-2)8(12)5-7/h3-6,11,16H,1-2H3
InChIKeyZSNDRKWQNGZAJC-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.67
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol

(3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 114684704) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol
PubChem CID114684704
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name(3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol
SMILESCOc1ccc(C(O)c2cnnn2C)cc1Br
InChIInChI=1S/C11H12BrN3O2/c1-15-9(6-13-14-15)11(16)7-3-4-10(17-2)8(12)5-7/h3-6,11,16H,1-2H3
InChIKeyZSNDRKWQNGZAJC-UHFFFAOYSA-N
XLogP1.67
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol
CID 114684884
(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684701
(3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 114684715
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(3-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 114684801
(3-bromo-4-methoxyphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054199
(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685101
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
(3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 107947817

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol (CID 114684704) is (3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol is COc1ccc(C(O)c2cnnn2C)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is ZSNDRKWQNGZAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-15-9(6-13-14-15)11(16)7-3-4-10(17-2)8(12)5-7/h3-6,11,16H,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol?
(3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 298.14 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 114684704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).