[4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone

C23H18FN3O2 — CID 134818047

IUPAC[4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCc2cn(Cc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C23H18FN3O2/c24-20-10-6-17(7-11-20)14-27-15-21(25-26-27)16-29-22-12-8-19(9-13-22)23(28)18-4-2-1-3-5-18/h1-13,15H,14,16H2
InChIKeyZTLYYNONYYVHFI-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.28
Rot. Bonds7

About [4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone

[4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone (PubChem CID 134818047) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is [4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone
PubChem CID134818047
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name[4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCc2cn(Cc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C23H18FN3O2/c24-20-10-6-17(7-11-20)14-27-15-21(25-26-27)16-29-22-12-8-19(9-13-22)23(28)18-4-2-1-3-5-18/h1-13,15H,14,16H2
InChIKeyZTLYYNONYYVHFI-UHFFFAOYSA-N
XLogP4.28
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-[4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-3-phenylprop-2-en-1-one
CID 85468959
1-[(4-iodophenyl)methyl]-4-(phenoxymethyl)triazole
CID 169095528
(E)-1-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-3-pyridin-4-ylprop-2-en-1-one
CID 155512880
(1-benzyltriazol-4-yl)methyl benzoate
CID 16745949
N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830961
2-[[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]propanedinitrile
CID 135398305
N-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide
CID 155816547
5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]pentanoic acid
CID 104538706
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
1-benzyl-4-[(2-bromophenoxy)methyl]triazole
CID 132505108
2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]ethane-1,1,2-tricarbonitrile
CID 135398345
4-[[4-[[2-(4-formyl-1-phenylpyrazol-3-yl)phenoxy]methyl]triazol-1-yl]methyl]benzoic acid
CID 133083925

Frequently Asked Questions

What is the IUPAC name of [4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone (CID 134818047) is [4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(OCc2cn(Cc3ccc(F)cc3)nn2)cc1.
What is the InChIKey of [4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone?
The InChIKey is ZTLYYNONYYVHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c24-20-10-6-17(7-11-20)14-27-15-21(25-26-27)16-29-22-12-8-19(9-13-22)23(28)18-4-2-1-3-5-18/h1-13,15H,14,16H2.
What are the key properties of [4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone?
[4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone has a molecular weight of 387.41 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 134818047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).