5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole

C15H14N4O — CID 123240955

IUPAC5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole
SMILESCC(Oc1ccc(-c2ccccc2)cc1)c1nn[nH]n1
InChIInChI=1S/C15H14N4O/c1-11(15-16-18-19-17-15)20-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17,18,19)
InChIKeyXWMSGTSXSXONQT-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.01
Rot. Bonds4

About 5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole

5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole (PubChem CID 123240955) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole
PubChem CID123240955
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole
SMILESCC(Oc1ccc(-c2ccccc2)cc1)c1nn[nH]n1
InChIInChI=1S/C15H14N4O/c1-11(15-16-18-19-17-15)20-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17,18,19)
InChIKeyXWMSGTSXSXONQT-UHFFFAOYSA-N
XLogP3.01
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[phenoxy(phenyl)methyl]-2H-tetrazole
CID 19975916
ethane;5-[(2S)-1-(4-phenylphenyl)propan-2-yl]-2H-tetrazole;(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethanamine
CID 158292765
2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 60929573
(2S)-2-(4-phenylphenoxy)propan-1-ol
CID 57166864
2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline
CID 19856224
5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide
CID 54851249
5-(1-benzylsulfanylethyl)-2H-tetrazole
CID 174272780
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
CID 123160214
N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine
CID 62450460
4-methyl-3-(4-phenylphenoxy)hexan-2-one
CID 67565039

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole?
The IUPAC name of 5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole (CID 123240955) is 5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole?
The canonical SMILES for 5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole is CC(Oc1ccc(-c2ccccc2)cc1)c1nn[nH]n1.
What is the InChIKey of 5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole?
The InChIKey is XWMSGTSXSXONQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11(15-16-18-19-17-15)20-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17,18,19).
What are the key properties of 5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole?
5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole has a molecular weight of 266.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole is sourced from PubChem (CID 123240955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).