[3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol

C14H10F2N4O — CID 63076359

IUPAC[3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol
SMILESOCc1cc(F)c(-n2nnc(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C14H10F2N4O/c15-11-6-9(8-21)7-12(16)13(11)20-18-14(17-19-20)10-4-2-1-3-5-10/h1-7,21H,8H2
InChIKeyZGZUYPNJFFUNFA-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.10
Rot. Bonds3

About [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol

[3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol (PubChem CID 63076359) has the molecular formula C14H10F2N4O and a molecular weight of 288.26 g/mol. Its IUPAC name is [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol
PubChem CID63076359
Molecular FormulaC14H10F2N4O
Molecular Weight288.26 g/mol
Exact Mass288.08
IUPAC Name[3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol
SMILESOCc1cc(F)c(-n2nnc(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C14H10F2N4O/c15-11-6-9(8-21)7-12(16)13(11)20-18-14(17-19-20)10-4-2-1-3-5-10/h1-7,21H,8H2
InChIKeyZGZUYPNJFFUNFA-UHFFFAOYSA-N
XLogP2.10
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol (CID 63076359) is [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol is OCc1cc(F)c(-n2nnc(-c3ccccc3)n2)c(F)c1.
What is the InChIKey of [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol?
The InChIKey is ZGZUYPNJFFUNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O/c15-11-6-9(8-21)7-12(16)13(11)20-18-14(17-19-20)10-4-2-1-3-5-10/h1-7,21H,8H2.
What are the key properties of [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol?
[3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol has a molecular weight of 288.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol is sourced from PubChem (CID 63076359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).