4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile

C17H15N5O2 — CID 51309608

IUPAC4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile
SMILESN#Cc1ccc(OCC(O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H15N5O2/c18-10-13-6-8-16(9-7-13)24-12-15(23)11-22-20-17(19-21-22)14-4-2-1-3-5-14/h1-9,15,23H,11-12H2
InChIKeyGMIWOYURNKPPAV-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.65
Rot. Bonds6

About 4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile

4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile (PubChem CID 51309608) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile
PubChem CID51309608
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile
SMILESN#Cc1ccc(OCC(O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H15N5O2/c18-10-13-6-8-16(9-7-13)24-12-15(23)11-22-20-17(19-21-22)14-4-2-1-3-5-14/h1-9,15,23H,11-12H2
InChIKeyGMIWOYURNKPPAV-UHFFFAOYSA-N
XLogP1.65
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 30136047
1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 51094188
(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94797788
(2R)-1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94817374
(2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94800635
(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
CID 32768070
(2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol
CID 51933554
(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 7233521
4-[2-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]tetrazol-5-yl]benzamide
CID 30661571
4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid
CID 139351628
4-[3-(5-tert-butyltetrazol-1-yl)-2-hydroxypropoxy]benzonitrile
CID 56821598
4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzonitrile
CID 31061142

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile?
The IUPAC name of 4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile (CID 51309608) is 4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile.
What is the SMILES notation for 4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile?
The canonical SMILES for 4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile is N#Cc1ccc(OCC(O)Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile?
The InChIKey is GMIWOYURNKPPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c18-10-13-6-8-16(9-7-13)24-12-15(23)11-22-20-17(19-21-22)14-4-2-1-3-5-14/h1-9,15,23H,11-12H2.
What are the key properties of 4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile?
4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile has a molecular weight of 321.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile is sourced from PubChem (CID 51309608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).