7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one

C18H12FN3O3 — CID 122192671

IUPAC7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one
SMILESO=c1ccc2ccc(OCc3cn(-c4cccc(F)c4)nn3)cc2o1
InChIInChI=1S/C18H12FN3O3/c19-13-2-1-3-15(8-13)22-10-14(20-21-22)11-24-16-6-4-12-5-7-18(23)25-17(12)9-16/h1-10H,11H2
InChIKeyFPAYGZSFDMDGQX-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.09
Rot. Bonds4

About 7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one

7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one (PubChem CID 122192671) has the molecular formula C18H12FN3O3 and a molecular weight of 337.31 g/mol. Its IUPAC name is 7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one.

Molecular Properties

Compound Name7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one
PubChem CID122192671
Molecular FormulaC18H12FN3O3
Molecular Weight337.31 g/mol
Exact Mass337.09
IUPAC Name7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one
SMILESO=c1ccc2ccc(OCc3cn(-c4cccc(F)c4)nn3)cc2o1
InChIInChI=1S/C18H12FN3O3/c19-13-2-1-3-15(8-13)22-10-14(20-21-22)11-24-16-6-4-12-5-7-18(23)25-17(12)9-16/h1-10H,11H2
InChIKeyFPAYGZSFDMDGQX-UHFFFAOYSA-N
XLogP3.09
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[[1-[4-[(4-chlorophenyl)methoxy]phenyl]triazol-4-yl]methoxy]chromen-2-one
CID 156580121
[3-[4-[(2-oxochromen-7-yl)oxymethyl]triazol-1-yl]phenyl] N-heptylcarbamate
CID 127043880
6-[[1-(4-nitrophenyl)triazol-4-yl]methoxy]chromen-2-one
CID 118709909
O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine
CID 117167593
7-[[1-[4-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]phenyl]triazol-4-yl]methoxy]chromen-2-one
CID 118711277
4-ethyl-1-(3-fluorophenyl)triazole
CID 144663333
7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one
CID 7233626
(2-oxochromen-7-yl) 3-fluorobenzoate
CID 7920952
7-[6-[4-(benzotriazol-1-yloxymethyl)triazol-1-yl]hexoxy]chromen-2-one
CID 162654393
7-[2-[4-[[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenoxy]methyl]triazol-1-yl]ethoxy]chromen-2-one
CID 134816752
7-[2-[4-[[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenoxy]methyl]triazol-1-yl]ethoxy]chromen-2-one;hydrochloride
CID 134816751
1-[[1-(3-fluorophenyl)triazol-4-yl]methyl]piperazine
CID 117167600

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one?
The IUPAC name of 7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one (CID 122192671) is 7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one.
What is the SMILES notation for 7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one?
The canonical SMILES for 7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one is O=c1ccc2ccc(OCc3cn(-c4cccc(F)c4)nn3)cc2o1.
What is the InChIKey of 7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one?
The InChIKey is FPAYGZSFDMDGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O3/c19-13-2-1-3-15(8-13)22-10-14(20-21-22)11-24-16-6-4-12-5-7-18(23)25-17(12)9-16/h1-10H,11H2.
What are the key properties of 7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one?
7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one has a molecular weight of 337.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one is sourced from PubChem (CID 122192671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).