5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole

C17H17ClN4O — CID 132532982

IUPAC5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole
SMILESCOc1ccccc1C(Cc1nnn(C)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN4O/c1-22-20-17(19-21-22)11-15(12-7-9-13(18)10-8-12)14-5-3-4-6-16(14)23-2/h3-10,15H,11H2,1-2H3
InChIKeyOFMWLJFMQXPCOG-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.25
Rot. Bonds5

About 5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole

5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole (PubChem CID 132532982) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole
PubChem CID132532982
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole
SMILESCOc1ccccc1C(Cc1nnn(C)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN4O/c1-22-20-17(19-21-22)11-15(12-7-9-13(18)10-8-12)14-5-3-4-6-16(14)23-2/h3-10,15H,11H2,1-2H3
InChIKeyOFMWLJFMQXPCOG-UHFFFAOYSA-N
XLogP3.25
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042579
2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 82023303
1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045875
2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053375
1-(3,4-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048328
N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065341
1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol
CID 107046002
3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol
CID 107065734
(1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041458
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
1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047688

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole?
The IUPAC name of 5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole (CID 132532982) is 5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole.
What is the SMILES notation for 5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole?
The canonical SMILES for 5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole is COc1ccccc1C(Cc1nnn(C)n1)c1ccc(Cl)cc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole?
The InChIKey is OFMWLJFMQXPCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-22-20-17(19-21-22)11-15(12-7-9-13(18)10-8-12)14-5-3-4-6-16(14)23-2/h3-10,15H,11H2,1-2H3.
What are the key properties of 5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole?
5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole has a molecular weight of 328.80 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole is sourced from PubChem (CID 132532982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).