5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole

C22H20N4O3 — CID 7467433

IUPAC5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole
SMILESCOc1ccc(-c2nnn(Cc3ccccc3Oc3ccccc3)n2)cc1OC
InChIInChI=1S/C22H20N4O3/c1-27-20-13-12-16(14-21(20)28-2)22-23-25-26(24-22)15-17-8-6-7-11-19(17)29-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3
InChIKeyHEABFTJNQNOGIE-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.20
Rot. Bonds7

About 5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole

5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole (PubChem CID 7467433) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole
PubChem CID7467433
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole
SMILESCOc1ccc(-c2nnn(Cc3ccccc3Oc3ccccc3)n2)cc1OC
InChIInChI=1S/C22H20N4O3/c1-27-20-13-12-16(14-21(20)28-2)22-23-25-26(24-22)15-17-8-6-7-11-19(17)29-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3
InChIKeyHEABFTJNQNOGIE-UHFFFAOYSA-N
XLogP4.20
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole
CID 7278075
2-[(2-bromo-4-fluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)tetrazole
CID 55499439
(2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol
CID 51933554
2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7630474
5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole
CID 52615802
2-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-1,3-benzothiazole
CID 1150121
5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole
CID 84595829
5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 18776288
2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole
CID 19798533
5-(3,4-dimethoxyphenyl)-2-(2-methylsulfonylethyl)tetrazole
CID 55410639
CID 59526706
CID 59526706
1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine
CID 9266886

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole (CID 7467433) is 5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole is COc1ccc(-c2nnn(Cc3ccccc3Oc3ccccc3)n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole?
The InChIKey is HEABFTJNQNOGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-27-20-13-12-16(14-21(20)28-2)22-23-25-26(24-22)15-17-8-6-7-11-19(17)29-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole?
5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole has a molecular weight of 388.43 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole is sourced from PubChem (CID 7467433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).