1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol

C11H14N4O — CID 107045900

IUPAC1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCc1ccc(C(O)Cc2nnn(C)n2)cc1
InChIInChI=1S/C11H14N4O/c1-8-3-5-9(6-4-8)10(16)7-11-12-14-15(2)13-11/h3-6,10,16H,7H2,1-2H3
InChIKeyKRXRTSFYLOMGGV-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.79
Rot. Bonds3

About 1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol

1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol (PubChem CID 107045900) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
PubChem CID107045900
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCc1ccc(C(O)Cc2nnn(C)n2)cc1
InChIInChI=1S/C11H14N4O/c1-8-3-5-9(6-4-8)10(16)7-11-12-14-15(2)13-11/h3-6,10,16H,7H2,1-2H3
InChIKeyKRXRTSFYLOMGGV-UHFFFAOYSA-N
XLogP0.79
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde
CID 20601525
1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol
CID 107046110
1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065787
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065836
1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049663
2-(2-methyltetrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 107046537
2-[(4-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107045075
1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107046178
2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 107045795
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047811
1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107103559
1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 114030498

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol (CID 107045900) is 1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol is Cc1ccc(C(O)Cc2nnn(C)n2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is KRXRTSFYLOMGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-3-5-9(6-4-8)10(16)7-11-12-14-15(2)13-11/h3-6,10,16H,7H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 218.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 107045900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).