1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone

C18H17N3O3 — CID 46483976

IUPAC1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O3/c1-13(22)14-8-9-17(18(10-14)23-2)24-12-15-11-19-21(20-15)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3
InChIKeyDLBOMGKSHPJEHZ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.06
Rot. Bonds6

About 1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone

1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone (PubChem CID 46483976) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone
PubChem CID46483976
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O3/c1-13(22)14-8-9-17(18(10-14)23-2)24-12-15-11-19-21(20-15)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3
InChIKeyDLBOMGKSHPJEHZ-UHFFFAOYSA-N
XLogP3.06
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone
CID 99634944
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 62127437
1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 66152416
1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 18925
3-methoxy-4-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154401
1-[3-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone
CID 51103696
1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640629
1-[3-methoxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone
CID 86992137
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 51333609
1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone
CID 112788067
N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46491466

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone (CID 46483976) is 1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone is COc1cc(C(C)=O)ccc1OCc1cnn(-c2ccccc2)n1.
What is the InChIKey of 1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone?
The InChIKey is DLBOMGKSHPJEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-13(22)14-8-9-17(18(10-14)23-2)24-12-15-11-19-21(20-15)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone?
1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone has a molecular weight of 323.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 46483976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).