5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole

C15H13ClN4O — CID 155154039

IUPAC5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole
SMILESCc1cc(Cl)ccc1OCc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C15H13ClN4O/c1-10-7-13(16)5-6-14(10)21-9-11-3-2-4-12(8-11)15-17-19-20-18-15/h2-8H,9H2,1H3,(H,17,18,19,20)
InChIKeyHHEZNWPAOPIEKI-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.41
Rot. Bonds4

About 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole

5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole (PubChem CID 155154039) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole
PubChem CID155154039
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole
SMILESCc1cc(Cl)ccc1OCc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C15H13ClN4O/c1-10-7-13(16)5-6-14(10)21-9-11-3-2-4-12(8-11)15-17-19-20-18-15/h2-8H,9H2,1H3,(H,17,18,19,20)
InChIKeyHHEZNWPAOPIEKI-UHFFFAOYSA-N
XLogP3.41
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole (CID 155154039) is 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole is Cc1cc(Cl)ccc1OCc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole?
The InChIKey is HHEZNWPAOPIEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-10-7-13(16)5-6-14(10)21-9-11-3-2-4-12(8-11)15-17-19-20-18-15/h2-8H,9H2,1H3,(H,17,18,19,20).
What are the key properties of 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole?
5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole has a molecular weight of 300.75 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 155154039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).