3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol

C14H11FN4O — CID 137336817

IUPAC3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol
SMILESCc1c(F)ccc(-c2ccc(-c3nn[nH]n3)cc2)c1O
InChIInChI=1S/C14H11FN4O/c1-8-12(15)7-6-11(13(8)20)9-2-4-10(5-3-9)14-16-18-19-17-14/h2-7,20H,1H3,(H,16,17,18,19)
InChIKeySXJWTZVFQWDLKE-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.69
Rot. Bonds2

About 3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol

3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol (PubChem CID 137336817) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol.

Molecular Properties

Compound Name3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol
PubChem CID137336817
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol
SMILESCc1c(F)ccc(-c2ccc(-c3nn[nH]n3)cc2)c1O
InChIInChI=1S/C14H11FN4O/c1-8-12(15)7-6-11(13(8)20)9-2-4-10(5-3-9)14-16-18-19-17-14/h2-7,20H,1H3,(H,16,17,18,19)
InChIKeySXJWTZVFQWDLKE-UHFFFAOYSA-N
XLogP2.69
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol?
The IUPAC name of 3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol (CID 137336817) is 3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol.
What is the SMILES notation for 3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol?
The canonical SMILES for 3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol is Cc1c(F)ccc(-c2ccc(-c3nn[nH]n3)cc2)c1O.
What is the InChIKey of 3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol?
The InChIKey is SXJWTZVFQWDLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-8-12(15)7-6-11(13(8)20)9-2-4-10(5-3-9)14-16-18-19-17-14/h2-7,20H,1H3,(H,16,17,18,19).
What are the key properties of 3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol?
3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol has a molecular weight of 270.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol is sourced from PubChem (CID 137336817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).