[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol

C14H12N4O — CID 11507097

IUPAC[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol
SMILESOCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H12N4O/c19-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-15-17-18-16-14/h1-8,19H,9H2,(H,15,16,17,18)
InChIKeyZRQJTHPAIULYJV-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.03
Rot. Bonds3

About [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol

[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol (PubChem CID 11507097) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol
PubChem CID11507097
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol
SMILESOCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H12N4O/c19-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-15-17-18-16-14/h1-8,19H,9H2,(H,15,16,17,18)
InChIKeyZRQJTHPAIULYJV-UHFFFAOYSA-N
XLogP2.03
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol?
The IUPAC name of [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol (CID 11507097) is [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol.
What is the SMILES notation for [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol?
The canonical SMILES for [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol is OCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol?
The InChIKey is ZRQJTHPAIULYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c19-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-15-17-18-16-14/h1-8,19H,9H2,(H,15,16,17,18).
What are the key properties of [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol?
[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol has a molecular weight of 252.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol is sourced from PubChem (CID 11507097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).