[1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol

C12H14FN3O3 — CID 163209340

IUPAC[1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol
SMILESCOCOc1ccc(-n2nnc(CO)c2C)cc1F
InChIInChI=1S/C12H14FN3O3/c1-8-11(6-17)14-15-16(8)9-3-4-12(10(13)5-9)19-7-18-2/h3-5,17H,6-7H2,1-2H3
InChIKeyBSUKTGBGPMCKBW-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.19
Rot. Bonds5

About [1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol

[1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol (PubChem CID 163209340) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is [1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol
PubChem CID163209340
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name[1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol
SMILESCOCOc1ccc(-n2nnc(CO)c2C)cc1F
InChIInChI=1S/C12H14FN3O3/c1-8-11(6-17)14-15-16(8)9-3-4-12(10(13)5-9)19-7-18-2/h3-5,17H,6-7H2,1-2H3
InChIKeyBSUKTGBGPMCKBW-UHFFFAOYSA-N
XLogP1.19
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol?
The IUPAC name of [1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol (CID 163209340) is [1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol.
What is the SMILES notation for [1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol?
The canonical SMILES for [1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol is COCOc1ccc(-n2nnc(CO)c2C)cc1F.
What is the InChIKey of [1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol?
The InChIKey is BSUKTGBGPMCKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c1-8-11(6-17)14-15-16(8)9-3-4-12(10(13)5-9)19-7-18-2/h3-5,17H,6-7H2,1-2H3.
What are the key properties of [1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol?
[1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol has a molecular weight of 267.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol is sourced from PubChem (CID 163209340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).