5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole

C10H11ClN4O — CID 107055238

IUPAC5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole
SMILESCc1ccc(Cl)cc1OCc1nnn(C)n1
InChIInChI=1S/C10H11ClN4O/c1-7-3-4-8(11)5-9(7)16-6-10-12-14-15(2)13-10/h3-5H,6H2,1-2H3
InChIKeyXSUNQDNBDRHMIR-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.75
Rot. Bonds3

About 5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole

5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole (PubChem CID 107055238) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole
PubChem CID107055238
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole
SMILESCc1ccc(Cl)cc1OCc1nnn(C)n1
InChIInChI=1S/C10H11ClN4O/c1-7-3-4-8(11)5-9(7)16-6-10-12-14-15(2)13-10/h3-5H,6H2,1-2H3
InChIKeyXSUNQDNBDRHMIR-UHFFFAOYSA-N
XLogP1.75
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
CID 107041085
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol
CID 107043835
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041330
5-[(2,3-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055284
5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107043113
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
CID 107040843
5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole
CID 107661914
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde
CID 107043154
3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride
CID 107041913
5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055235
5-[(2-bromophenoxy)methyl]-2-methyltetrazole
CID 107043106
[3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107690642

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole?
The IUPAC name of 5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole (CID 107055238) is 5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole.
What is the SMILES notation for 5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole?
The canonical SMILES for 5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole is Cc1ccc(Cl)cc1OCc1nnn(C)n1.
What is the InChIKey of 5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole?
The InChIKey is XSUNQDNBDRHMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-7-3-4-8(11)5-9(7)16-6-10-12-14-15(2)13-10/h3-5H,6H2,1-2H3.
What are the key properties of 5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole?
5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole has a molecular weight of 238.68 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole is sourced from PubChem (CID 107055238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).