[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C19H19N3O6 — CID 53322786

IUPAC[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)cc1O
InChIInChI=1S/C19H19N3O6/c1-25-15-6-5-12(9-14(15)23)22-10-13(20-21-22)18(24)11-7-16(26-2)19(28-4)17(8-11)27-3/h5-10,23H,1-4H3
InChIKeyJPNWCCMSLZCEFL-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.24
Rot. Bonds7

About [1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 53322786) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is [1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID53322786
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC Name[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)cc1O
InChIInChI=1S/C19H19N3O6/c1-25-15-6-5-12(9-14(15)23)22-10-13(20-21-22)18(24)11-7-16(26-2)19(28-4)17(8-11)27-3/h5-10,23H,1-4H3
InChIKeyJPNWCCMSLZCEFL-UHFFFAOYSA-N
XLogP2.24
TPSA104.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 53322786) is [1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)cc1O.
What is the InChIKey of [1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is JPNWCCMSLZCEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-25-15-6-5-12(9-14(15)23)22-10-13(20-21-22)18(24)11-7-16(26-2)19(28-4)17(8-11)27-3/h5-10,23H,1-4H3.
What are the key properties of [1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 385.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 53322786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).