1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol

C13H18N4O — CID 107046002

IUPAC1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol
SMILESCC(CC(O)Cc1nnn(C)n1)c1ccccc1
InChIInChI=1S/C13H18N4O/c1-10(11-6-4-3-5-7-11)8-12(18)9-13-14-16-17(2)15-13/h3-7,10,12,18H,8-9H2,1-2H3
InChIKeyFNSMQKBIUIQNAC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.31
Rot. Bonds5

About 1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol

1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol (PubChem CID 107046002) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol
PubChem CID107046002
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol
SMILESCC(CC(O)Cc1nnn(C)n1)c1ccccc1
InChIInChI=1S/C13H18N4O/c1-10(11-6-4-3-5-7-11)8-12(18)9-13-14-16-17(2)15-13/h3-7,10,12,18H,8-9H2,1-2H3
InChIKeyFNSMQKBIUIQNAC-UHFFFAOYSA-N
XLogP1.31
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047726
(4R)-2-methyl-6-phenylheptan-4-ol
CID 135043417
1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine
CID 107064725
3-phenylbutane-1,1-diol
CID 18417931
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047966
1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047829
1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045900
2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 107045795
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047811
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 107045890
3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine
CID 107053280
N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine
CID 107049422

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol (CID 107046002) is 1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol is CC(CC(O)Cc1nnn(C)n1)c1ccccc1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol?
The InChIKey is FNSMQKBIUIQNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(11-6-4-3-5-7-11)8-12(18)9-13-14-16-17(2)15-13/h3-7,10,12,18H,8-9H2,1-2H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol?
1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol has a molecular weight of 246.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol is sourced from PubChem (CID 107046002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).