2-methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol

C19H21N3O5 — CID 155812073

IUPAC2-methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol
SMILESCOc1ccc(C(c2cc(OC)c(OC)c(OC)c2)n2cncn2)cc1O
InChIInChI=1S/C19H21N3O5/c1-24-15-6-5-12(7-14(15)23)18(22-11-20-10-21-22)13-8-16(25-2)19(27-4)17(9-13)26-3/h5-11,18,23H,1-4H3
InChIKeyJAVAHBFKPLQFKG-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.66
Rot. Bonds7

About 2-methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol

2-methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol (PubChem CID 155812073) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol
PubChem CID155812073
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol
SMILESCOc1ccc(C(c2cc(OC)c(OC)c(OC)c2)n2cncn2)cc1O
InChIInChI=1S/C19H21N3O5/c1-24-15-6-5-12(7-14(15)23)18(22-11-20-10-21-22)13-8-16(25-2)19(27-4)17(9-13)26-3/h5-11,18,23H,1-4H3
InChIKeyJAVAHBFKPLQFKG-UHFFFAOYSA-N
XLogP2.66
TPSA87.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol?
The IUPAC name of 2-methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol (CID 155812073) is 2-methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol?
The canonical SMILES for 2-methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol is COc1ccc(C(c2cc(OC)c(OC)c(OC)c2)n2cncn2)cc1O.
What is the InChIKey of 2-methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol?
The InChIKey is JAVAHBFKPLQFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-24-15-6-5-12(7-14(15)23)18(22-11-20-10-21-22)13-8-16(25-2)19(27-4)17(9-13)26-3/h5-11,18,23H,1-4H3.
What are the key properties of 2-methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol?
2-methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol has a molecular weight of 371.39 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol is sourced from PubChem (CID 155812073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).