(5-bromo-3-methyltriazol-4-yl)-[4-(difluoromethoxy)phenyl]methanol

C11H10BrF2N3O2 — CID 106461120

IUPAC(5-bromo-3-methyltriazol-4-yl)-[4-(difluoromethoxy)phenyl]methanol
SMILESCn1nnc(Br)c1C(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H10BrF2N3O2/c1-17-8(10(12)15-16-17)9(18)6-2-4-7(5-3-6)19-11(13)14/h2-5,9,11,18H,1H3
InChIKeyBUGUODSXBMBOOG-UHFFFAOYSA-N
MW334.12 g/mol
LogP2.26
Rot. Bonds4

About (5-bromo-3-methyltriazol-4-yl)-[4-(difluoromethoxy)phenyl]methanol

(5-bromo-3-methyltriazol-4-yl)-[4-(difluoromethoxy)phenyl]methanol (PubChem CID 106461120) has the molecular formula C11H10BrF2N3O2 and a molecular weight of 334.12 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-[4-(difluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-[4-(difluoromethoxy)phenyl]methanol
PubChem CID106461120
Molecular FormulaC11H10BrF2N3O2
Molecular Weight334.12 g/mol
Exact Mass332.99
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-[4-(difluoromethoxy)phenyl]methanol
SMILESCn1nnc(Br)c1C(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H10BrF2N3O2/c1-17-8(10(12)15-16-17)9(18)6-2-4-7(5-3-6)19-11(13)14/h2-5,9,11,18H,1H3
InChIKeyBUGUODSXBMBOOG-UHFFFAOYSA-N
XLogP2.26
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.12
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[Hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol
CID 134147702
[5-[Bromo(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol
CID 59138040
[5-[Bromo(difluoro)methyl]-1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanol
CID 59138046
(5-Bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanol
CID 106461121
(5-Bromo-3-methyltriazol-4-yl)-[3-(difluoromethoxy)-4-methoxyphenyl]methanol
CID 106461123
(5-Bromo-3-methyltriazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 106461164
(5-Bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol
CID 106461171
(5-Bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 106461185
(5-Bromo-3-methyltriazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 106461188
(5-Bromo-3-methyltriazol-4-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 106461190
(5-Bromo-3-methyltriazol-4-yl)-(2,5-difluorophenyl)methanol
CID 106461200
(5-Bromo-3-methyltriazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 106461270

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-[4-(difluoromethoxy)phenyl]methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-[4-(difluoromethoxy)phenyl]methanol (CID 106461120) is (5-bromo-3-methyltriazol-4-yl)-[4-(difluoromethoxy)phenyl]methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-[4-(difluoromethoxy)phenyl]methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-[4-(difluoromethoxy)phenyl]methanol is Cn1nnc(Br)c1C(O)c1ccc(OC(F)F)cc1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-[4-(difluoromethoxy)phenyl]methanol?
The InChIKey is BUGUODSXBMBOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N3O2/c1-17-8(10(12)15-16-17)9(18)6-2-4-7(5-3-6)19-11(13)14/h2-5,9,11,18H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-[4-(difluoromethoxy)phenyl]methanol?
(5-bromo-3-methyltriazol-4-yl)-[4-(difluoromethoxy)phenyl]methanol has a molecular weight of 334.12 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-[4-(difluoromethoxy)phenyl]methanol is sourced from PubChem (CID 106461120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).