5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole

C22H18N4O — CID 18973897

IUPAC5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole
SMILESC(=C/c1ccccc1OCc1ccccc1)\c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C22H18N4O/c1-2-6-18(7-3-1)16-27-21-9-5-4-8-19(21)13-10-17-11-14-20(15-12-17)22-23-25-26-24-22/h1-15H,16H2,(H,23,24,25,26)/b13-10+
InChIKeyULBUVEUMBFSZOF-JLHYYAGUSA-N
MW354.41 g/mol
LogP4.62
Rot. Bonds6

About 5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole

5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole (PubChem CID 18973897) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole
PubChem CID18973897
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole
SMILESC(=C/c1ccccc1OCc1ccccc1)\c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C22H18N4O/c1-2-6-18(7-3-1)16-27-21-9-5-4-8-19(21)13-10-17-11-14-20(15-12-17)22-23-25-26-24-22/h1-15H,16H2,(H,23,24,25,26)/b13-10+
InChIKeyULBUVEUMBFSZOF-JLHYYAGUSA-N
XLogP4.62
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
CID 146430659
5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate
CID 22010194
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
2-[2-(2-phenylethenyl)phenoxy]ethanol
CID 70576558
5-(4-phenylmethoxyphenyl)-2-propan-2-yltetrazole;5-(4-phenylmethoxyphenyl)-2H-tetrazole
CID 159213434
[4-[4-[2-[(4-tert-butylphenyl)methoxy]phenyl]-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]but-3-enyl]-2,6-difluorophenoxy]-tri(propan-2-yl)silane
CID 67492566
2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 54000159
3-(2-phenylethenyl)-4-phenylmethoxybenzoic acid
CID 57066930
4-(2-phenylmethoxyphenyl)but-3-en-1-ol
CID 54307612
1-[(E)-3-methoxyprop-1-enyl]-2-phenylmethoxybenzene
CID 141153836
6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol
CID 137215900

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole (CID 18973897) is 5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole is C(=C/c1ccccc1OCc1ccccc1)\c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole?
The InChIKey is ULBUVEUMBFSZOF-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H18N4O/c1-2-6-18(7-3-1)16-27-21-9-5-4-8-19(21)13-10-17-11-14-20(15-12-17)22-23-25-26-24-22/h1-15H,16H2,(H,23,24,25,26)/b13-10+.
What are the key properties of 5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole?
5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole has a molecular weight of 354.41 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 18973897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).