5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole

C10H11ClN4O — CID 82084148

IUPAC5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole
SMILESCc1ccc(Cl)c(OCCc2nn[nH]n2)c1
InChIInChI=1S/C10H11ClN4O/c1-7-2-3-8(11)9(6-7)16-5-4-10-12-14-15-13-10/h2-3,6H,4-5H2,1H3,(H,12,13,14,15)
InChIKeyMDYHOVBVCVFJTH-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.78
Rot. Bonds4

About 5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole

5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole (PubChem CID 82084148) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole
PubChem CID82084148
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole
SMILESCc1ccc(Cl)c(OCCc2nn[nH]n2)c1
InChIInChI=1S/C10H11ClN4O/c1-7-2-3-8(11)9(6-7)16-5-4-10-12-14-15-13-10/h2-3,6H,4-5H2,1H3,(H,12,13,14,15)
InChIKeyMDYHOVBVCVFJTH-UHFFFAOYSA-N
XLogP1.78
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656079
2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethanol
CID 61075702
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
CID 55195145
5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine
CID 62485519
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628
1-chloro-4-methyl-2-(3-methylsulfonylpropoxy)benzene
CID 71879390
2-(2-chloro-5-methylphenoxy)ethylurea
CID 82081437
2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine
CID 43531012
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 2865567
7-(2-chloro-5-methylphenoxy)heptanoic acid
CID 39369862

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole?
The IUPAC name of 5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole (CID 82084148) is 5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole?
The canonical SMILES for 5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole is Cc1ccc(Cl)c(OCCc2nn[nH]n2)c1.
What is the InChIKey of 5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole?
The InChIKey is MDYHOVBVCVFJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-7-2-3-8(11)9(6-7)16-5-4-10-12-14-15-13-10/h2-3,6H,4-5H2,1H3,(H,12,13,14,15).
What are the key properties of 5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole?
5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole has a molecular weight of 238.68 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole is sourced from PubChem (CID 82084148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).