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

C11H11F2N3O2 — CID 114684708

IUPAC[2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1ccccc1OC(F)F
InChIInChI=1S/C11H11F2N3O2/c1-16-8(6-14-15-16)10(17)7-4-2-3-5-9(7)18-11(12)13/h2-6,10-11,17H,1H3
InChIKeyOBDSUCHYWYHWSK-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.50
Rot. Bonds4

About [2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol

[2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol (PubChem CID 114684708) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol
PubChem CID114684708
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name[2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1ccccc1OC(F)F
InChIInChI=1S/C11H11F2N3O2/c1-16-8(6-14-15-16)10(17)7-4-2-3-5-9(7)18-11(12)13/h2-6,10-11,17H,1H3
InChIKeyOBDSUCHYWYHWSK-UHFFFAOYSA-N
XLogP1.50
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 105128734
1-[2-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038764
(3-methyltriazol-4-yl)-pyridin-2-ylmethanol
CID 114684772
[2-(difluoromethoxy)phenyl]-(2,3-dimethylphenyl)methanol
CID 63895942
(2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol
CID 106694030
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
1-[2-(difluoromethoxy)phenyl]-2-methylpropan-1-ol
CID 63894804
1-[2-(difluoromethoxy)phenyl]-3-methylbutan-1-ol
CID 63893645
[2-(difluoromethoxy)phenyl]-(3-methylphenyl)methanol
CID 63895753
[2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol
CID 61101714
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol
CID 114685209
[2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol
CID 61081501

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol (CID 114684708) is [2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol is Cn1nncc1C(O)c1ccccc1OC(F)F.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol?
The InChIKey is OBDSUCHYWYHWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-16-8(6-14-15-16)10(17)7-4-2-3-5-9(7)18-11(12)13/h2-6,10-11,17H,1H3.
What are the key properties of [2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol?
[2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol has a molecular weight of 255.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 114684708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).