5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-(2-methyl-1,2,4-triazol-3-yl)chromen-4-one

C19H14FN3O4 — CID 513244

IUPAC5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-(2-methyl-1,2,4-triazol-3-yl)chromen-4-one
SMILESCn1ncnc1-c1oc2cccc(OCc3ccc(F)cc3)c2c(=O)c1O
InChIInChI=1S/C19H14FN3O4/c1-23-19(21-10-22-23)18-17(25)16(24)15-13(3-2-4-14(15)27-18)26-9-11-5-7-12(20)8-6-11/h2-8,10,25H,9H2,1H3
InChIKeyBBLDVYQQSNXHQY-UHFFFAOYSA-N
MW367.34 g/mol
LogP3.01
Rot. Bonds4

About 5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-(2-methyl-1,2,4-triazol-3-yl)chromen-4-one

5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-(2-methyl-1,2,4-triazol-3-yl)chromen-4-one (PubChem CID 513244) has the molecular formula C19H14FN3O4 and a molecular weight of 367.34 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-(2-methyl-1,2,4-triazol-3-yl)chromen-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-(2-methyl-1,2,4-triazol-3-yl)chromen-4-one
PubChem CID513244
Molecular FormulaC19H14FN3O4
Molecular Weight367.34 g/mol
Exact Mass367.10
IUPAC Name5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-(2-methyl-1,2,4-triazol-3-yl)chromen-4-one
SMILESCn1ncnc1-c1oc2cccc(OCc3ccc(F)cc3)c2c(=O)c1O
InChIInChI=1S/C19H14FN3O4/c1-23-19(21-10-22-23)18-17(25)16(24)15-13(3-2-4-14(15)27-18)26-9-11-5-7-12(20)8-6-11/h2-8,10,25H,9H2,1H3
InChIKeyBBLDVYQQSNXHQY-UHFFFAOYSA-N
XLogP3.01
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-(ethoxymethoxy)-5-[(4-fluorophenyl)methoxy]-2-(2-methyl-1,2,4-triazol-3-yl)-4-oxochromene-7-carboxylate
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methyl 4-hydroxy-5-[(4-methylphenyl)methoxy]-2-oxochromene-3-carboxylate
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2-[(4-fluorophenyl)methoxy]phenol
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4-[(4-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
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4-[(4-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
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CID 163740484
CID 163740484
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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-(2-methyl-1,2,4-triazol-3-yl)chromen-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-(2-methyl-1,2,4-triazol-3-yl)chromen-4-one (CID 513244) is 5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-(2-methyl-1,2,4-triazol-3-yl)chromen-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-(2-methyl-1,2,4-triazol-3-yl)chromen-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-(2-methyl-1,2,4-triazol-3-yl)chromen-4-one is Cn1ncnc1-c1oc2cccc(OCc3ccc(F)cc3)c2c(=O)c1O.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-(2-methyl-1,2,4-triazol-3-yl)chromen-4-one?
The InChIKey is BBLDVYQQSNXHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O4/c1-23-19(21-10-22-23)18-17(25)16(24)15-13(3-2-4-14(15)27-18)26-9-11-5-7-12(20)8-6-11/h2-8,10,25H,9H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-(2-methyl-1,2,4-triazol-3-yl)chromen-4-one?
5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-(2-methyl-1,2,4-triazol-3-yl)chromen-4-one has a molecular weight of 367.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-(2-methyl-1,2,4-triazol-3-yl)chromen-4-one is sourced from PubChem (CID 513244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).