[1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol

C18H18N8O3 — CID 67826780

IUPAC[1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol
SMILESCOc1ccc(-n2nnnc2C(O)OCCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C18H18N8O3/c1-28-15-9-7-14(8-10-15)26-17(20-22-24-26)18(27)29-12-11-16-19-21-23-25(16)13-5-3-2-4-6-13/h2-10,18,27H,11-12H2,1H3
InChIKeyUZNXOWRAQTWQJF-UHFFFAOYSA-N
MW394.40 g/mol
LogP0.90
Rot. Bonds8

About [1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol

[1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol (PubChem CID 67826780) has the molecular formula C18H18N8O3 and a molecular weight of 394.40 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol
PubChem CID67826780
Molecular FormulaC18H18N8O3
Molecular Weight394.40 g/mol
Exact Mass394.15
IUPAC Name[1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol
SMILESCOc1ccc(-n2nnnc2C(O)OCCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C18H18N8O3/c1-28-15-9-7-14(8-10-15)26-17(20-22-24-26)18(27)29-12-11-16-19-21-23-25(16)13-5-3-2-4-6-13/h2-10,18,27H,11-12H2,1H3
InChIKeyUZNXOWRAQTWQJF-UHFFFAOYSA-N
XLogP0.90
TPSA125.89 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one
CID 166338434
1-(1-phenyltetrazol-5-yl)hexan-3-ol
CID 79422541
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
3-(1-phenyltetrazol-5-yl)pentan-2-ol
CID 63201375
5-butyl-1-phenyltetrazole
CID 69031432
[1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol
CID 102263407
N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 30858611
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
1-(4-methoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole
CID 112780708
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol
CID 111462537

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol?
The IUPAC name of [1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol (CID 67826780) is [1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol.
What is the SMILES notation for [1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol?
The canonical SMILES for [1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol is COc1ccc(-n2nnnc2C(O)OCCc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol?
The InChIKey is UZNXOWRAQTWQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O3/c1-28-15-9-7-14(8-10-15)26-17(20-22-24-26)18(27)29-12-11-16-19-21-23-25(16)13-5-3-2-4-6-13/h2-10,18,27H,11-12H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol?
[1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol has a molecular weight of 394.40 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol is sourced from PubChem (CID 67826780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).