1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol

C13H16N4O — CID 107046178

IUPAC1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)c2cccc(C3CC3)c2)n1
InChIInChI=1S/C13H16N4O/c1-17-15-13(14-16-17)8-12(18)11-4-2-3-10(7-11)9-5-6-9/h2-4,7,9,12,18H,5-6,8H2,1H3
InChIKeyWFASXQCXJWUUGK-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.36
Rot. Bonds4

About 1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol

1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol (PubChem CID 107046178) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
PubChem CID107046178
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)c2cccc(C3CC3)c2)n1
InChIInChI=1S/C13H16N4O/c1-17-15-13(14-16-17)8-12(18)11-4-2-3-10(7-11)9-5-6-9/h2-4,7,9,12,18H,5-6,8H2,1H3
InChIKeyWFASXQCXJWUUGK-UHFFFAOYSA-N
XLogP1.36
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 107045795
1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 79979836
1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol
CID 79980080
1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045900
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol
CID 79972588
1-(3-cyclopropylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 79973012
4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde
CID 20601525
1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642027
1-(3-cyclopropylphenyl)decan-1-ol
CID 79980400
1-(3-cyclopropylphenyl)octan-1-ol
CID 79981026
1-(3-cyclopropylphenyl)heptan-1-ol
CID 79980321
1-(3-cyclopropylphenyl)undecan-1-ol
CID 79973186

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol (CID 107046178) is 1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol is Cn1nnc(CC(O)c2cccc(C3CC3)c2)n1.
What is the InChIKey of 1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is WFASXQCXJWUUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-15-13(14-16-17)8-12(18)11-4-2-3-10(7-11)9-5-6-9/h2-4,7,9,12,18H,5-6,8H2,1H3.
What are the key properties of 1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 244.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 107046178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).