[1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol

C18H20N4O5 — CID 102263407

IUPAC[1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1ccc(-n2nnnc2C(O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20N4O5/c1-24-13-7-5-12(6-8-13)22-18(19-20-21-22)16(23)11-9-14(25-2)17(27-4)15(10-11)26-3/h5-10,16,23H,1-4H3
InChIKeyBGMWTACVLTWJFZ-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.78
Rot. Bonds7

About [1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol

[1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol (PubChem CID 102263407) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol
PubChem CID102263407
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name[1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1ccc(-n2nnnc2C(O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20N4O5/c1-24-13-7-5-12(6-8-13)22-18(19-20-21-22)16(23)11-9-14(25-2)17(27-4)15(10-11)26-3/h5-10,16,23H,1-4H3
InChIKeyBGMWTACVLTWJFZ-UHFFFAOYSA-N
XLogP1.78
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol?
The IUPAC name of [1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol (CID 102263407) is [1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for [1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for [1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol is COc1ccc(-n2nnnc2C(O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol?
The InChIKey is BGMWTACVLTWJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-24-13-7-5-12(6-8-13)22-18(19-20-21-22)16(23)11-9-14(25-2)17(27-4)15(10-11)26-3/h5-10,16,23H,1-4H3.
What are the key properties of [1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol?
[1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol has a molecular weight of 372.38 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 102263407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).