(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol

C12H14BrN3O3 — CID 106461135

IUPAC(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Br)nnn2C)c(OC)c1
InChIInChI=1S/C12H14BrN3O3/c1-16-10(12(13)14-15-16)11(17)8-5-4-7(18-2)6-9(8)19-3/h4-6,11,17H,1-3H3
InChIKeyGPVKESZCEZBKSM-UHFFFAOYSA-N
MW328.17 g/mol
LogP1.68
Rot. Bonds4

About (5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol

(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol (PubChem CID 106461135) has the molecular formula C12H14BrN3O3 and a molecular weight of 328.17 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol
PubChem CID106461135
Molecular FormulaC12H14BrN3O3
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Br)nnn2C)c(OC)c1
InChIInChI=1S/C12H14BrN3O3/c1-16-10(12(13)14-15-16)11(17)8-5-4-7(18-2)6-9(8)19-3/h4-6,11,17H,1-3H3
InChIKeyGPVKESZCEZBKSM-UHFFFAOYSA-N
XLogP1.68
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 106461168
(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol
CID 114030491
[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 106793911
(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461945
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634383
(4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 114329901
(S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293057
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
N-[(4-bromo-2-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]propan-1-amine
CID 106464593
(3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461184
(2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol
CID 113370193

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol (CID 106461135) is (5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol is COc1ccc(C(O)c2c(Br)nnn2C)c(OC)c1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol?
The InChIKey is GPVKESZCEZBKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3/c1-16-10(12(13)14-15-16)11(17)8-5-4-7(18-2)6-9(8)19-3/h4-6,11,17H,1-3H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol has a molecular weight of 328.17 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 106461135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).