1-[2-(2H-tetrazol-5-yl)phenyl]ethanol

C9H10N4O — CID 14983929

IUPAC1-[2-(2H-tetrazol-5-yl)phenyl]ethanol
SMILESCC(O)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C9H10N4O/c1-6(14)7-4-2-3-5-8(7)9-10-12-13-11-9/h2-6,14H,1H3,(H,10,11,12,13)
InChIKeyPMQHMQSTRSOXIJ-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.92
Rot. Bonds2

About 1-[2-(2H-tetrazol-5-yl)phenyl]ethanol

1-[2-(2H-tetrazol-5-yl)phenyl]ethanol (PubChem CID 14983929) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-[2-(2H-tetrazol-5-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2H-tetrazol-5-yl)phenyl]ethanol
PubChem CID14983929
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-[2-(2H-tetrazol-5-yl)phenyl]ethanol
SMILESCC(O)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C9H10N4O/c1-6(14)7-4-2-3-5-8(7)9-10-12-13-11-9/h2-6,14H,1H3,(H,10,11,12,13)
InChIKeyPMQHMQSTRSOXIJ-UHFFFAOYSA-N
XLogP0.92
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2H-tetrazol-5-yl)phenyl]ethanol?
The IUPAC name of 1-[2-(2H-tetrazol-5-yl)phenyl]ethanol (CID 14983929) is 1-[2-(2H-tetrazol-5-yl)phenyl]ethanol.
What is the SMILES notation for 1-[2-(2H-tetrazol-5-yl)phenyl]ethanol?
The canonical SMILES for 1-[2-(2H-tetrazol-5-yl)phenyl]ethanol is CC(O)c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 1-[2-(2H-tetrazol-5-yl)phenyl]ethanol?
The InChIKey is PMQHMQSTRSOXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6(14)7-4-2-3-5-8(7)9-10-12-13-11-9/h2-6,14H,1H3,(H,10,11,12,13).
What are the key properties of 1-[2-(2H-tetrazol-5-yl)phenyl]ethanol?
1-[2-(2H-tetrazol-5-yl)phenyl]ethanol has a molecular weight of 190.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2H-tetrazol-5-yl)phenyl]ethanol is sourced from PubChem (CID 14983929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).