1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone

C20H21N3O5 — CID 59430178

IUPAC1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone
SMILESCOc1ccc(-c2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1C(C)=O
InChIInChI=1S/C20H21N3O5/c1-11(24)14-8-12(6-7-15(14)25-2)18-19(22-23-21-18)13-9-16(26-3)20(28-5)17(10-13)27-4/h6-10H,1-5H3,(H,21,22,23)
InChIKeyIXJXMTULZRGTRH-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.38
Rot. Bonds7

About 1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone

1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone (PubChem CID 59430178) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone
PubChem CID59430178
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone
SMILESCOc1ccc(-c2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1C(C)=O
InChIInChI=1S/C20H21N3O5/c1-11(24)14-8-12(6-7-15(14)25-2)18-19(22-23-21-18)13-9-16(26-3)20(28-5)17(10-13)27-4/h6-10H,1-5H3,(H,21,22,23)
InChIKeyIXJXMTULZRGTRH-UHFFFAOYSA-N
XLogP3.38
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate
CID 59430320
sodium 4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenolate
CID 66678861
4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]pyridine
CID 54612886
[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 87103618
N-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide
CID 59430200
(2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]-3-phenylpropanamide
CID 71218535
methoxy-[3-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamic acid
CID 87507855
2-amino-3-(4-hydroxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]propanamide
CID 59430137
[5-amino-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium
CID 59430131
1-[5-(3-amino-4-methoxyphenyl)-2H-triazol-4-yl]ethanone
CID 96599167
2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine
CID 59430270

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone?
The IUPAC name of 1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone (CID 59430178) is 1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone is COc1ccc(-c2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1C(C)=O.
What is the InChIKey of 1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone?
The InChIKey is IXJXMTULZRGTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-11(24)14-8-12(6-7-15(14)25-2)18-19(22-23-21-18)13-9-16(26-3)20(28-5)17(10-13)27-4/h6-10H,1-5H3,(H,21,22,23).
What are the key properties of 1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone?
1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone has a molecular weight of 383.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone is sourced from PubChem (CID 59430178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).