1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol

C15H14N4O — CID 43506228

IUPAC1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol
SMILESCC(O)c1ccc(-n2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H14N4O/c1-11(20)12-7-9-14(10-8-12)19-17-15(16-18-19)13-5-3-2-4-6-13/h2-11,20H,1H3
InChIKeyQBWKRHPGOPAIII-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.38
Rot. Bonds3

About 1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol

1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol (PubChem CID 43506228) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol
PubChem CID43506228
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol
SMILESCC(O)c1ccc(-n2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H14N4O/c1-11(20)12-7-9-14(10-8-12)19-17-15(16-18-19)13-5-3-2-4-6-13/h2-11,20H,1H3
InChIKeyQBWKRHPGOPAIII-UHFFFAOYSA-N
XLogP2.38
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol
CID 83131929
5-(4-bromophenyl)-2-phenyltetrazole
CID 11370072
4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole
CID 172790149
3-(5-phenyltetrazol-2-yl)benzoic acid
CID 63941692
5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole
CID 2797241
[4-[5-(4-methylphenyl)tetrazol-2-yl]phenyl]methanol
CID 54249848
N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine
CID 63943078
2-(2-ethylphenyl)-5-phenyltetrazole
CID 23606527
1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 115475591
2-(2,3-dimethylphenyl)-5-phenyltetrazole
CID 54119212
2-[2-(bromomethyl)phenyl]-5-phenyltetrazole
CID 107085646
2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 110908038

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol?
The IUPAC name of 1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol (CID 43506228) is 1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol?
The canonical SMILES for 1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol is CC(O)c1ccc(-n2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol?
The InChIKey is QBWKRHPGOPAIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11(20)12-7-9-14(10-8-12)19-17-15(16-18-19)13-5-3-2-4-6-13/h2-11,20H,1H3.
What are the key properties of 1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol?
1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol has a molecular weight of 266.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol is sourced from PubChem (CID 43506228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).