2-[3-(benzotriazol-2-yl)-4-[(3-fluorophenyl)methoxy]phenyl]ethanol

C21H18FN3O2 — CID 71901661

IUPAC2-[3-(benzotriazol-2-yl)-4-[(3-fluorophenyl)methoxy]phenyl]ethanol
SMILESOCCc1ccc(OCc2cccc(F)c2)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C21H18FN3O2/c22-17-5-3-4-16(12-17)14-27-21-9-8-15(10-11-26)13-20(21)25-23-18-6-1-2-7-19(18)24-25/h1-9,12-13,26H,10-11,14H2
InChIKeyLZVZHKNLZCBPTH-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.67
Rot. Bonds6

About 2-[3-(benzotriazol-2-yl)-4-[(3-fluorophenyl)methoxy]phenyl]ethanol

2-[3-(benzotriazol-2-yl)-4-[(3-fluorophenyl)methoxy]phenyl]ethanol (PubChem CID 71901661) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-[3-(benzotriazol-2-yl)-4-[(3-fluorophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(benzotriazol-2-yl)-4-[(3-fluorophenyl)methoxy]phenyl]ethanol
PubChem CID71901661
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name2-[3-(benzotriazol-2-yl)-4-[(3-fluorophenyl)methoxy]phenyl]ethanol
SMILESOCCc1ccc(OCc2cccc(F)c2)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C21H18FN3O2/c22-17-5-3-4-16(12-17)14-27-21-9-8-15(10-11-26)13-20(21)25-23-18-6-1-2-7-19(18)24-25/h1-9,12-13,26H,10-11,14H2
InChIKeyLZVZHKNLZCBPTH-UHFFFAOYSA-N
XLogP3.67
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzotriazol-2-yl)-4-[(3-fluorophenyl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[3-(benzotriazol-2-yl)-4-[(3-fluorophenyl)methoxy]phenyl]ethanol (CID 71901661) is 2-[3-(benzotriazol-2-yl)-4-[(3-fluorophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[3-(benzotriazol-2-yl)-4-[(3-fluorophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[3-(benzotriazol-2-yl)-4-[(3-fluorophenyl)methoxy]phenyl]ethanol is OCCc1ccc(OCc2cccc(F)c2)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-[3-(benzotriazol-2-yl)-4-[(3-fluorophenyl)methoxy]phenyl]ethanol?
The InChIKey is LZVZHKNLZCBPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-17-5-3-4-16(12-17)14-27-21-9-8-15(10-11-26)13-20(21)25-23-18-6-1-2-7-19(18)24-25/h1-9,12-13,26H,10-11,14H2.
What are the key properties of 2-[3-(benzotriazol-2-yl)-4-[(3-fluorophenyl)methoxy]phenyl]ethanol?
2-[3-(benzotriazol-2-yl)-4-[(3-fluorophenyl)methoxy]phenyl]ethanol has a molecular weight of 363.39 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzotriazol-2-yl)-4-[(3-fluorophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 71901661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).