5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole

C17H15FN4O — CID 123571859

IUPAC5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole
SMILESCC1CCc2c(Oc3ccc(-c4nn[nH]n4)cc3)ccc(F)c21
InChIInChI=1S/C17H15FN4O/c1-10-2-7-13-15(9-8-14(18)16(10)13)23-12-5-3-11(4-6-12)17-19-21-22-20-17/h3-6,8-10H,2,7H2,1H3,(H,19,20,21,22)
InChIKeyNVWGFQJIUQQVLR-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.85
Rot. Bonds3

About 5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole

5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole (PubChem CID 123571859) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole
PubChem CID123571859
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole
SMILESCC1CCc2c(Oc3ccc(-c4nn[nH]n4)cc3)ccc(F)c21
InChIInChI=1S/C17H15FN4O/c1-10-2-7-13-15(9-8-14(18)16(10)13)23-12-5-3-11(4-6-12)17-19-21-22-20-17/h3-6,8-10H,2,7H2,1H3,(H,19,20,21,22)
InChIKeyNVWGFQJIUQQVLR-UHFFFAOYSA-N
XLogP3.85
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole (CID 123571859) is 5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole is CC1CCc2c(Oc3ccc(-c4nn[nH]n4)cc3)ccc(F)c21.
What is the InChIKey of 5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole?
The InChIKey is NVWGFQJIUQQVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-10-2-7-13-15(9-8-14(18)16(10)13)23-12-5-3-11(4-6-12)17-19-21-22-20-17/h3-6,8-10H,2,7H2,1H3,(H,19,20,21,22).
What are the key properties of 5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole?
5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole has a molecular weight of 310.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole is sourced from PubChem (CID 123571859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).