5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate

C21H20N4O3 — CID 22010194

IUPAC5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate
SMILESO.c1ccc(COc2ccc(-c3nn[nH]n3)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C21H18N4O2.H2O/c1-3-7-16(8-4-1)14-26-18-11-12-19(21-22-24-25-23-21)20(13-18)27-15-17-9-5-2-6-10-17;/h1-13H,14-15H2,(H,22,23,24,25);1H2
InChIKeyZJUWZFFBVOSLSK-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.20
Rot. Bonds7

About 5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate

5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate (PubChem CID 22010194) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate.

Molecular Properties

Compound Name5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate
PubChem CID22010194
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate
SMILESO.c1ccc(COc2ccc(-c3nn[nH]n3)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C21H18N4O2.H2O/c1-3-7-16(8-4-1)14-26-18-11-12-19(21-22-24-25-23-21)20(13-18)27-15-17-9-5-2-6-10-17;/h1-13H,14-15H2,(H,22,23,24,25);1H2
InChIKeyZJUWZFFBVOSLSK-UHFFFAOYSA-N
XLogP3.20
TPSA104.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol
CID 137215900
3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine
CID 3332846
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
2-[[2-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
CID 173254790
2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
CID 54039072
5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 10613243
2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid
CID 5128355
5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole
CID 18973897
2-ethyl-6-methoxy-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57314307
2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
CID 6709912
2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine
CID 57313427

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate?
The IUPAC name of 5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate (CID 22010194) is 5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate.
What is the SMILES notation for 5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate?
The canonical SMILES for 5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate is O.c1ccc(COc2ccc(-c3nn[nH]n3)c(OCc3ccccc3)c2)cc1.
What is the InChIKey of 5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate?
The InChIKey is ZJUWZFFBVOSLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2.H2O/c1-3-7-16(8-4-1)14-26-18-11-12-19(21-22-24-25-23-21)20(13-18)27-15-17-9-5-2-6-10-17;/h1-13H,14-15H2,(H,22,23,24,25);1H2.
What are the key properties of 5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate?
5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate has a molecular weight of 376.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate is sourced from PubChem (CID 22010194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).