(4-methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol

C18H19N3O3 — CID 134146992

IUPAC(4-methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol
SMILESCOc1ccc(C(O)c2cn(Cc3cccc(OC)c3)nn2)cc1
InChIInChI=1S/C18H19N3O3/c1-23-15-8-6-14(7-9-15)18(22)17-12-21(20-19-17)11-13-4-3-5-16(10-13)24-2/h3-10,12,18,22H,11H2,1-2H3
InChIKeyDLRZQEBUNQLWGY-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.43
Rot. Bonds6

About (4-methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol

(4-methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol (PubChem CID 134146992) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol
PubChem CID134146992
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(4-methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol
SMILESCOc1ccc(C(O)c2cn(Cc3cccc(OC)c3)nn2)cc1
InChIInChI=1S/C18H19N3O3/c1-23-15-8-6-14(7-9-15)18(22)17-12-21(20-19-17)11-13-4-3-5-16(10-13)24-2/h3-10,12,18,22H,11H2,1-2H3
InChIKeyDLRZQEBUNQLWGY-UHFFFAOYSA-N
XLogP2.43
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of (4-methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol (CID 134146992) is (4-methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for (4-methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for (4-methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol is COc1ccc(C(O)c2cn(Cc3cccc(OC)c3)nn2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol?
The InChIKey is DLRZQEBUNQLWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-23-15-8-6-14(7-9-15)18(22)17-12-21(20-19-17)11-13-4-3-5-16(10-13)24-2/h3-10,12,18,22H,11H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol?
(4-methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol has a molecular weight of 325.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 134146992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).