3-[4-(1-methyltetrazol-5-yl)butoxy]-2-propylphenol

C15H22N4O2 — CID 173408121

IUPAC3-[4-(1-methyltetrazol-5-yl)butoxy]-2-propylphenol
SMILESCCCc1c(O)cccc1OCCCCc1nnnn1C
InChIInChI=1S/C15H22N4O2/c1-3-7-12-13(20)8-6-9-14(12)21-11-5-4-10-15-16-17-18-19(15)2/h6,8-9,20H,3-5,7,10-11H2,1-2H3
InChIKeyWJGSUEOALQENIT-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.27
Rot. Bonds8

About 3-[4-(1-methyltetrazol-5-yl)butoxy]-2-propylphenol

3-[4-(1-methyltetrazol-5-yl)butoxy]-2-propylphenol (PubChem CID 173408121) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[4-(1-methyltetrazol-5-yl)butoxy]-2-propylphenol.

Molecular Properties

Compound Name3-[4-(1-methyltetrazol-5-yl)butoxy]-2-propylphenol
PubChem CID173408121
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[4-(1-methyltetrazol-5-yl)butoxy]-2-propylphenol
SMILESCCCc1c(O)cccc1OCCCCc1nnnn1C
InChIInChI=1S/C15H22N4O2/c1-3-7-12-13(20)8-6-9-14(12)21-11-5-4-10-15-16-17-18-19(15)2/h6,8-9,20H,3-5,7,10-11H2,1-2H3
InChIKeyWJGSUEOALQENIT-UHFFFAOYSA-N
XLogP2.27
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-hydroxy-2-propylphenoxy)butanoic acid
CID 67632631
4-[5-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butyl]tetrazol-1-yl]butanoic acid
CID 15614901
1,3-di(pentadecoxy)-2-propylbenzene
CID 91341779
4-[5-[6-(4-acetyl-3-hydroxy-2-propylphenoxy)hexyl]tetrazol-1-yl]butanoic acid
CID 15614925
5-[5-[6-(4-acetyl-3-hydroxy-2-propylphenoxy)hexyl]tetrazol-1-yl]pentanoic acid
CID 15614926
2-ethyl-3-hexoxyphenol
CID 118561746
5-[5-[6-(4-acetyl-3-hydroxy-2-propylphenoxy)hexyl]tetrazol-1-yl]pentanenitrile
CID 15614920
3-methoxy-2-propylphenol
CID 10607156
1-[2-hydroxy-3-propyl-4-[6-[1-[4-(2H-tetrazol-5-yl)butyl]tetrazol-5-yl]hexoxy]phenyl]ethanone
CID 15614924
3-ethoxy-2-pentylphenol;toluene
CID 174953910
3-tetradecoxybenzene-1,2-diol
CID 152769078
3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol
CID 57308798

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methyltetrazol-5-yl)butoxy]-2-propylphenol?
The IUPAC name of 3-[4-(1-methyltetrazol-5-yl)butoxy]-2-propylphenol (CID 173408121) is 3-[4-(1-methyltetrazol-5-yl)butoxy]-2-propylphenol.
What is the SMILES notation for 3-[4-(1-methyltetrazol-5-yl)butoxy]-2-propylphenol?
The canonical SMILES for 3-[4-(1-methyltetrazol-5-yl)butoxy]-2-propylphenol is CCCc1c(O)cccc1OCCCCc1nnnn1C.
What is the InChIKey of 3-[4-(1-methyltetrazol-5-yl)butoxy]-2-propylphenol?
The InChIKey is WJGSUEOALQENIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-7-12-13(20)8-6-9-14(12)21-11-5-4-10-15-16-17-18-19(15)2/h6,8-9,20H,3-5,7,10-11H2,1-2H3.
What are the key properties of 3-[4-(1-methyltetrazol-5-yl)butoxy]-2-propylphenol?
3-[4-(1-methyltetrazol-5-yl)butoxy]-2-propylphenol has a molecular weight of 290.37 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methyltetrazol-5-yl)butoxy]-2-propylphenol is sourced from PubChem (CID 173408121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).