1-[2-[(2-fluoro-4-hydroxyphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one

C16H15FN4O3 — CID 90262051

IUPAC1-[2-[(2-fluoro-4-hydroxyphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one
SMILESCc1cccc(-n2nnn(C)c2=O)c1COc1ccc(O)cc1F
InChIInChI=1S/C16H15FN4O3/c1-10-4-3-5-14(21-16(23)20(2)18-19-21)12(10)9-24-15-7-6-11(22)8-13(15)17/h3-8,22H,9H2,1-2H3
InChIKeyLZYAIJFLVTXUDX-UHFFFAOYSA-N
MW330.32 g/mol
LogP1.70
Rot. Bonds4

About 1-[2-[(2-fluoro-4-hydroxyphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one

1-[2-[(2-fluoro-4-hydroxyphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one (PubChem CID 90262051) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is 1-[2-[(2-fluoro-4-hydroxyphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[2-[(2-fluoro-4-hydroxyphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one
PubChem CID90262051
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC Name1-[2-[(2-fluoro-4-hydroxyphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one
SMILESCc1cccc(-n2nnn(C)c2=O)c1COc1ccc(O)cc1F
InChIInChI=1S/C16H15FN4O3/c1-10-4-3-5-14(21-16(23)20(2)18-19-21)12(10)9-24-15-7-6-11(22)8-13(15)17/h3-8,22H,9H2,1-2H3
InChIKeyLZYAIJFLVTXUDX-UHFFFAOYSA-N
XLogP1.70
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluoro-4-hydroxyphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[2-[(2-fluoro-4-hydroxyphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one (CID 90262051) is 1-[2-[(2-fluoro-4-hydroxyphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[2-[(2-fluoro-4-hydroxyphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[2-[(2-fluoro-4-hydroxyphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one is Cc1cccc(-n2nnn(C)c2=O)c1COc1ccc(O)cc1F.
What is the InChIKey of 1-[2-[(2-fluoro-4-hydroxyphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one?
The InChIKey is LZYAIJFLVTXUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-10-4-3-5-14(21-16(23)20(2)18-19-21)12(10)9-24-15-7-6-11(22)8-13(15)17/h3-8,22H,9H2,1-2H3.
What are the key properties of 1-[2-[(2-fluoro-4-hydroxyphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one?
1-[2-[(2-fluoro-4-hydroxyphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one has a molecular weight of 330.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluoro-4-hydroxyphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one is sourced from PubChem (CID 90262051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).