2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol

C13H18N4O2 — CID 107045795

IUPAC2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(C(O)Cc2nnn(C)n2)c1
InChIInChI=1S/C13H18N4O2/c1-9(2)19-11-6-4-5-10(7-11)12(18)8-13-14-16-17(3)15-13/h4-7,9,12,18H,8H2,1-3H3
InChIKeyJFICUMOCLITFGK-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.27
Rot. Bonds5

About 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol

2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol (PubChem CID 107045795) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol
PubChem CID107045795
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(C(O)Cc2nnn(C)n2)c1
InChIInChI=1S/C13H18N4O2/c1-9(2)19-11-6-4-5-10(7-11)12(18)8-13-14-16-17(3)15-13/h4-7,9,12,18H,8H2,1-3H3
InChIKeyJFICUMOCLITFGK-UHFFFAOYSA-N
XLogP1.27
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 82869084
1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107046178
[1-[3-(difluoromethoxy)phenyl]-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066949
3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol
CID 107065734
1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045900
2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 65145651
1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065787
1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041075
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol
CID 107046002
2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 116660264
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 97068294

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol (CID 107045795) is 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol is CC(C)Oc1cccc(C(O)Cc2nnn(C)n2)c1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol?
The InChIKey is JFICUMOCLITFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(2)19-11-6-4-5-10(7-11)12(18)8-13-14-16-17(3)15-13/h4-7,9,12,18H,8H2,1-3H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol?
2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol has a molecular weight of 262.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 107045795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).